##TITLE= propionic acid
##JCAMP-DX= 5  $$Exported NUTS Data File
##$DATA TYPE= NMR SPECTRUM
##$DATA Class= XYDATA
##$ORIGIN= NUTS EXPORT
##$OWNER= PLU CHEM
##$SPECTROMETER/DATA SYSTEM= NUTS EXPORT
##$INSTRUMENTAL PARAMETERS= 1H
##.OBSERVE FREQUENCY= 300.651611
##.OBSERVE NUCLEUS= H1
##NPOINTS= 16384
##XUNITS= PPM
##$YUNITS= ARBITRARY UNITS
##FIRSTX= 12.0013
##LASTX= -0.5021
##XFACTOR= 1.0
##YFACTOR= 1.0
##FIRSTY= 432.313   
##MAXY= 5211398.500
##MINY= -16017.756
##$ASSIGNMENT TYPE= CHIME
##$CHIME TARGET= PROPSTRUCT
##PEAK ASSIGNMENT= (XYWA)
(1.16, -1, 0.06, <select *; spacefill off; wireframe on; wireframe 40; color atoms cpk; select atomno=6 or 
atomno=7 or atomno=8; spacefill 125; color atoms red; select atomno=9 or atomno=10; spacefill 100; color atoms green>)
(2.40, -1, 0.05, <select *; spacefill off; wireframe on; wireframe 40; color atoms cpk; select atomno=9 or 
atomno=10; spacefill 125; color atoms red; select atomno=6 or atomno=7 or atomno=8; spacefill 100; color atoms green>)
(10.87, -1, 0.06, <select *; spacefill off; wireframe on; wireframe 40; color atoms cpk; select atomno=11; 
spacefill 125; color atoms red>)
(6,-1,6,  <select *; spacefill off; wireframe on; wireframe 40; color atoms cpk>)
##XYDATA= (X++(Y..Y))
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 11.9940 -46 -241 556 -225 -259 -538
 11.9866 575 -405 -34 -119 275 -115
 11.9793 -274 590 -326 200 546 -425
 11.9720 305 -230 -196 -279 -468 576
 11.9646 28 -52 392 103 58 -93
 11.9573 -974 390 235 84 34 -172
 11.9499 -76 288 -387 513 -249 -191
 11.9426 -357 295 80 -196 -97 -36
 11.9353 -331 -416 -366 421 15 411
 11.9279 462 -25 -153 -5 368 181
 11.9206 58 -435 518 984 25 41
 11.9133 -99 509 90 327 -135 221
 11.9059 44 29 394 52 162 475
 11.8986 -475 218 -356 267 -295 531
 11.8912 436 435 -845 247 -132 -402
 11.8839 176 -8 -238 -61 -595 -158
 11.8766 42 -319 203 -130 265 -464
 11.8692 -149 138 136 -203 -112 -298
 11.8619 46 -538 -33 288 -211 322
 11.8546 273 288 207 377 -191 -525
 11.8472 391 -201 -313 275 480 265
 11.8399 -202 19 354 -24 484 413
 11.8325 -118 992 103 430 340 233
 11.8252 -108 -7 499 119 939 -59
 11.8179 405 -107 437 -298 296 454
 11.8105 303 -573 400 871 -151 200
 11.8032 449 415 -185 40 -23 217
 11.7959 1002 -272 -69 350 -7 206
 11.7885 210 460 253 601 -57 1096
 11.7812 632 138 75 633 -200 661
 11.7738 93 92 790 598 -452 1008
 11.7665 -134 599 -141 140 425 -51
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 11.7518 334 249 606 272 -560 676
 11.7445 154 -8 529 287 179 -536
 11.7372 146 600 244 1024 153 736
 11.7298 -240 262 94 285 -149 541
 11.7225 -160 317 91 -14 521 608
 11.7151 576 167 303 59 747 699
 11.7078 114 -97 -45 426 310 219
 11.7005 797 646 895 208 326 435
 11.6931 516 677 392 368 1148 775
 11.6858 779 620 252 11 914 865
 11.6785 -635 343 305 555 481 325
 11.6711 816 -194 365 -58 460 -65
 11.6638 348 353 309 143 733 490
 11.6564 644 878 733 745 934 706
 11.6491 234 361 30 480 1011 500
 11.6418 872 1066 801 143 707 -31
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 11.6198 956 547 324 426 1180 188
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 11.5977 487 644 555 609 135 921
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 11.4950 668 1641 1360 875 1243 1448
 11.4877 490 1228 1463 706 942 1119
 11.4803 1400 1487 1086 735 1419 1333
 11.4730 1603 1003 1290 1294 835 1272
 11.4657 1665 1684 844 1983 2093 1615
 11.4583 1541 1443 2519 1122 1418 1449
 11.4510 1825 1413 1567 2016 1779 1598
 11.4436 1452 1751 1981 2125 1701 1848
 11.4363 2107 1731 1286 1187 1979 1965
 11.4290 1812 2295 2424 2340 2064 2184
 11.4216 907 1455 2492 1777 2105 1493
 11.4143 1480 1320 1370 1784 1548 1819
 11.4070 1683 1173 2089 2247 2140 1475
 11.3996 1963 1865 2064 1187 1838 2322
 11.3923 2215 1629 2244 2479 1227 2275
 11.3849 2433 1976 2300 1733 2057 2164
 11.3776 2075 1947 2359 1940 1677 1836
 11.3703 2545 2208 2357 1805 2183 1479
 11.3629 1997 2055 1998 1935 1498 2367
 11.3556 2009 2417 2316 2487 2544 2165
 11.3483 2696 2069 2068 1968 3287 2643
 11.3409 2603 2612 2944 2623 2106 2185
 11.3336 2138 2249 3068 1947 3011 2444
 11.3262 3256 2790 3211 3004 3046 3329
 11.3189 3132 2668 2845 2682 2933 2953
 11.3116 2891 3036 2424 3143 3364 2828
 11.3042 3113 3368 2622 3256 3348 2802
 11.2969 2933 3248 3429 3151 2911 3589
 11.2896 3425 2864 3715 3357 3172 3615
 11.2822 3500 2751 3785 3390 3109 3106
 11.2749 2761 3723 3728 3293 3120 3579
 11.2675 3331 3686 3421 3870 3507 3531
 11.2602 3617 4059 4138 3669 3521 3967
 11.2529 3847 4070 3588 4410 4211 3891
 11.2455 4475 4655 4033 4427 3671 4804
 11.2382 3994 4108 4542 4568 3928 4458
 11.2309 3367 3648 5280 4437 4937 4506
 11.2235 4472 4828 4425 4717 4620 4260
 11.2162 5507 4636 5377 5244 5247 5138
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 11.2015 5668 5158 5105 4488 5368 4750
 11.1942 4887 5072 5599 6246 5833 5629
 11.1868 5593 5683 5495 6253 5798 6466
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##END= 
