##TITLE=1-Hexyltheobromine
##JCAMP-DX=4.24
##DATA TYPE=INFRARED SPECTRUM
##ORIGIN=EPA-IR VAPOR PHASE LIBRARY
##OWNER=SRD/NIST
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
##CAS REGISTRY NO=1028-33-7
##MOLFORM=C 13 H 20 N 4 O 2
##$NIST SOURCE=MSDC-IR
##STATE=gas
##XUNITS=1/CM
##YUNITS=ABSORBANCE
##XFACTOR=1.
##YFACTOR=0.001
##DELTAX=1.92898
##FIRSTX=549.8
##LASTX=4000.7
##FIRSTY=0.088
##MAXX=4000.7
##MINX=549.759
##MAXY=0.259165
##MINY=0
##NPOINTS=1790
##XYDATA=(X++(Y..Y))
549.759 0.088 0.066 0 0.056 0.4736 0.796 0.8893 0.8277 0.8334 0.8345
569.049 1.0237 1.2788 1.2034 1.0611 1.2633 1.485 1.705 1.955 2.365 2.785
588.339 2.955 3.145 3.275 3.255 3.345 3.595 4.095 4.835 5.705 6.715
607.628 7.345 6.785 5.885 5.095 3.975 2.975 2.005 1.515 1.328 1.0953
626.918 0.9428 0.8643 0.9752 1.1091 1.0947 1.0528 1.2444 1.3389 1.435 1.615
646.208 1.575 1.3617 1.2718 1.3024 1.083 1.0039 1.0826 1.0234 0.813 0.6673
665.498 0.7095 0.6457 0.609 0.5373 0.43384 0.4782 0.624 0.6832 0.6706 0.7832
684.787 0.8186 0.9378 1.0799 1.1046 1.221 1.2421 1.1754 1.2296 1.2983 1.475
704.077 1.625 1.465 1.445 1.735 1.975 1.995 2.135 2.355 2.525 2.655
723.367 2.845 3.245 3.585 3.955 4.575 5.225 5.925 6.845 7.435 7.725
742.657 8.075 8.725 9.385 9.875 10.585 11.405 12.005 12.015 11.955 12.025
761.947 12.415 12.975 13.155 12.555 11.085 9.475 7.725 5.955 4.615 3.775
781.236 3.185 2.725 2.435 2.205 1.975 1.805 1.865 1.765 1.585 1.605
800.526 1.715 1.745 1.795 1.985 2.045 2.465 2.875 3.005 3.155 3.565
819.816 4.365 5.405 6.815 8.305 9.595 10.655 10.545 9.165 7.505 5.905
839.106 4.515 3.515 2.915 2.635 2.545 2.525 2.515 2.525 2.435 2.385
858.395 2.385 2.255 2.185 2.145 1.925 1.865 1.905 1.975 2.035 1.995
877.685 1.985 2.075 2.105 2.005 2.125 2.305 2.185 2.195 2.505 2.535
896.975 2.725 2.785 2.515 2.375 2.395 2.655 2.745 2.685 2.885 3.215
916.265 3.395 3.435 3.435 3.455 3.395 3.445 3.645 3.745 3.745 3.695
935.555 3.595 3.385 3.215 3.065 2.905 2.575 2.255 2.255 2.345 2.425
954.844 2.395 2.305 2.285 2.395 2.505 2.625 2.635 2.425 2.535 2.775
974.134 3.085 3.445 3.635 3.965 4.215 4.415 4.365 3.985 3.955 4.145
993.424 4.225 4.305 4.375 4.675 4.935 5.195 5.455 5.855 6.435 6.645
1012.714 6.815 6.915 6.675 6.275 5.915 5.665 5.285 4.885 4.775 4.705
1032.003 4.705 4.745 4.605 4.595 4.585 4.935 5.255 5.365 5.575 5.735
1051.293 6.235 5.935 5.895 6.505 6.175 6.035 6.045 5.965 6.295 6.695
1070.583 6.895 7.145 8.005 8.985 9.535 10.235 11.085 11.445 11.575 11.855
1089.873 11.595 10.665 9.815 8.625 7.215 6.345 5.895 5.165 4.455 4.225
1109.163 3.985 4.005 3.795 3.505 3.405 3.385 3.345 3.425 3.445 3.255
1128.452 3.185 2.925 3.345 3.655 3.715 4.025 4.225 4.515 4.805 5.045
1147.742 5.325 5.445 5.395 5.815 5.905 5.695 5.595 5.665 5.995 6.065
1167.032 6.195 6.565 7.235 7.905 8.355 9.265 10.045 10.715 11.865 13.065
1186.322 14.015 14.945 15.385 15.105 14.605 13.965 13.145 12.785 12.795 12.695
1205.611 13.105 13.345 13.935 14.775 15.305 16.075 17.265 18.825 21.085 24.795
1224.901 29.345 34.705 40.495 44.025 44.845 42.825 38.125 32.035 25.405 19.745
1244.191 15.595 12.855 10.845 9.435 8.595 8.035 7.775 7.685 7.775 7.955
1263.481 8.175 8.735 9.545 10.595 11.745 12.845 13.985 14.895 15.455 15.715
1282.771 15.505 14.835 14.105 13.345 12.515 12.095 12.025 12.085 12.555 13.205
1302.060 14.135 15.565 17.315 19.425 21.935 24.795 27.895 30.955 33.655 35.625
1321.350 36.655 36.525 35.155 32.795 29.735 26.455 23.485 21.005 19.345 18.585
1340.640 18.765 19.975 22.135 25.125 28.415 31.395 33.655 34.715 34.305 32.595
1359.930 30.125 27.475 25.025 23.015 21.505 20.435 19.635 19.195 19.125 19.305
1379.219 19.655 20.085 20.505 20.935 21.335 21.585 21.555 21.265 20.755 20.125
1398.509 19.475 18.875 18.545 18.645 19.365 20.855 22.935 25.245 27.265 28.205
1417.799 27.885 26.595 24.555 22.125 20.245 19.565 20.085 21.585 23.815 26.275
1437.089 28.715 30.715 32.255 33.665 35.305 37.555 40.565 44.095 48.025 51.755
1456.378 54.765 56.855 57.485 56.755 55.205 53.445 52.125 51.625 51.915 52.585
1475.668 52.945 52.235 50.155 46.955 42.925 38.445 34.025 29.975 26.335 23.355
1494.958 20.975 19.095 17.645 16.545 15.845 15.375 15.275 15.425 15.695 16.305
1514.248 17.315 18.635 20.345 22.265 24.635 27.145 29.565 31.645 33.315 34.785
1533.538 36.395 38.605 41.395 44.925 48.765 52.025 54.045 54.265 52.445 48.865
1552.827 44.105 38.515 33.205 28.265 24.095 21.025 18.605 16.765 15.405 14.425
1572.117 13.745 13.275 12.915 12.645 12.615 12.805 13.095 13.495 14.295 15.465
1591.407 17.055 19.135 21.775 24.945 28.415 31.985 35.105 36.985 37.205 35.615
1610.697 32.445 28.085 23.365 18.895 15.405 13.085 11.615 10.805 10.355 10.215
1629.986 10.435 10.735 11.255 12.065 13.145 14.435 16.075 18.175 20.895 24.165
1649.276 27.895 31.995 36.745 41.315 45.355 49.465 54.305 60.795 69.865 82.435
1668.566 99.605 121.575 147.155 175.195 204.515 230.075 249.225 259.165 257.935 246.705
1687.856 227.515 202.185 174.855 149.295 126.305 107.735 94.895 85.835 82.005 82.325
1707.146 87.205 97.125 113.065 134.775 160.475 185.055 201.955 204.605 191.615 165.695
1726.435 132.775 100.835 75.105 57.185 44.515 35.725 29.775 25.315 22.005 19.305
1745.725 17.145 15.395 14.035 12.805 11.715 10.815 10.065 9.425 8.875 8.385
1765.015 7.905 7.515 7.145 6.805 6.585 6.285 5.945 5.705 5.425 5.235
1784.305 5.045 4.845 4.725 4.535 4.335 4.155 3.975 3.825 3.745 3.635
1803.594 3.515 3.395 3.325 3.275 3.185 3.085 2.955 2.865 2.845 2.725
1822.884 2.575 2.555 2.515 2.415 2.375 2.295 2.155 2.165 2.185 2.095
1842.174 2.065 2.015 1.955 1.945 1.965 1.965 1.945 1.995 2.005 1.975
1861.464 1.935 1.935 1.925 1.865 1.845 1.835 1.795 1.755 1.685 1.635
1880.754 1.605 1.505 1.475 1.455 1.435 1.435 1.445 1.435 1.465 1.465
1900.043 1.365 1.3365 1.3643 1.375 1.3224 1.3188 1.3375 1.2887 1.2773 1.279
1919.333 1.2719 1.2619 1.2465 1.2757 1.2686 1.2067 1.1565 1.1761 1.2082 1.1829
1938.623 1.1639 1.1823 1.2497 1.2652 1.2371 1.221 1.203 1.2073 1.2644 1.2898
1957.913 1.2527 1.2464 1.2098 1.2266 1.2876 1.3272 1.3079 1.2744 1.2515 1.252
1977.202 1.2798 1.2516 1.2596 1.268 1.2778 1.2913 1.2727 1.2098 1.1632 1.1629
1996.492 1.1542 1.1451 1.1705 1.1813 1.1569 1.2011 1.205 1.1931 1.2534 1.2078
2015.782 1.1526 1.2043 1.215 1.2486 1.2672 1.2304 1.2449 1.2446 1.2655 1.2681
2035.072 1.2624 1.3182 1.2536 1.145 1.168 1.2171 1.1859 1.1244 1.0973 1.075
2054.362 1.0904 1.0947 1.1284 1.163 1.1466 1.1113 1.0825 1.0533 1.0581 1.0219
2073.651 0.9516 0.9743 0.9611 0.9218 0.936 0.9593 0.9413 0.9467 0.9647 0.9751
2092.941 1.0015 1.0154 1.0696 1.0597 1.0468 1.0417 1.0402 1.0531 1.0379 1.0297
2112.231 1.0225 1.0501 1.1176 1.1792 1.1372 1.0725 1.0638 1.0781 1.0537 1.0953
2131.521 1.1278 1.0822 1.057 1.1129 1.1105 1.0283 0.9939 1.0115 1.0897 1.0596
2150.810 1.0502 1.1087 1.0932 1.028 1.0058 1.0407 1.0641 1.0281 0.9574 1.017
2170.100 1.06 1.0069 1.0163 1.0288 1.0616 1.1486 1.2014 1.1077 1.0511 1.1412
2189.390 1.1581 1.1403 1.1379 1.1064 1.1746 1.2109 1.1817 1.1925 1.131 1.0618
2208.680 1.0553 1.0612 1.0576 1.1108 1.1429 1.1003 1.1031 1.1051 1.1487 1.2486
2227.970 1.2518 1.2213 1.206 1.2082 1.2369 1.2545 1.2628 1.307 1.3139 1.3104
2247.259 1.33 1.2422 1.2125 1.232 1.2337 1.2418 1.2497 1.2482 1.2002 1.1828
2266.549 1.2178 1.2306 1.2603 1.3417 1.3388 1.3445 1.3319 1.2548 1.1822 1.2063
2285.839 1.2418 1.1957 1.1735 1.1802 1.1638 1.1509 1.216 1.2492 1.2428 1.2307
2305.129 1.2384 1.265 1.2361 1.2102 1.1932 1.1497 1.1306 1.1524 1.186 1.1977
2324.418 1.162 1.1751 1.1864 1.1392 1.1301 1.1328 1.1269 1.1132 1.1145 1.0906
2343.708 1.0658 1.1715 1.2692 1.2131 1.2189 1.2432 1.2165 1.2392 1.2401 1.1866
2362.998 1.1942 1.2884 1.3057 1.2923 1.2873 1.243 1.257 1.2987 1.2848 1.2353
2382.288 1.2186 1.3004 1.3135 1.2818 1.3214 1.3323 1.405 1.475 1.445 1.425
2401.578 1.3605 1.405 1.495 1.455 1.405 1.485 1.515 1.495 1.515 1.505
2420.867 1.465 1.425 1.385 1.3306 1.2841 1.2478 1.2663 1.237 1.1307 1.1917
2440.157 1.2244 1.1988 1.2479 1.2109 1.2078 1.1524 1.0798 1.1493 1.2163 1.1966
2459.447 1.1939 1.1449 1.1481 1.2649 1.3308 1.3189 1.238 1.2771 1.405 1.375
2478.737 1.2865 1.1785 1.2264 1.2841 1.2482 1.2705 1.2588 1.2489 1.1859 1.2024
2498.026 1.2075 1.1645 1.1513 1.1772 1.2039 1.1885 1.1577 1.1637 1.1501 1.1806
2517.316 1.1405 0.9741 1.0737 1.2021 1.2375 1.2407 1.2497 1.2535 1.2552 1.2388
2536.606 1.2044 1.2985 1.3583 1.3508 1.385 1.3484 1.3361 1.385 1.405 1.485
2555.896 1.485 1.445 1.485 1.435 1.3357 1.3543 1.405 1.3595 1.3179 1.3072
2575.186 1.3385 1.375 1.3154 1.3031 1.3292 1.3239 1.3514 1.3542 1.3605 1.445
2594.475 1.455 1.313 1.2666 1.3462 1.455 1.395 1.3541 1.405 1.275 1.3111
2613.765 1.395 1.3423 1.3245 1.3105 1.3238 1.445 1.495 1.395 1.385 1.415
2633.055 1.435 1.405 1.425 1.405 1.435 1.545 1.505 1.505 1.515 1.555
2652.345 1.625 1.535 1.515 1.585 1.565 1.555 1.565 1.605 1.705 1.745
2671.634 1.725 1.745 1.795 1.775 1.685 1.625 1.575 1.595 1.595 1.605
2690.924 1.645 1.665 1.685 1.655 1.725 1.755 1.655 1.655 1.615 1.585
2710.214 1.615 1.625 1.665 1.685 1.595 1.545 1.635 1.665 1.685 1.835
2729.504 1.825 1.705 1.735 1.845 1.985 1.995 1.995 2.045 2.115 2.085
2748.794 2.005 2.035 2.065 2.065 2.095 2.205 2.195 2.115 2.105 2.135
2768.083 2.135 2.185 2.235 2.255 2.325 2.295 2.255 2.295 2.365 2.405
2787.373 2.445 2.525 2.585 2.615 2.745 2.945 3.025 3.065 3.235 3.485
2806.663 3.695 3.775 3.885 4.115 4.265 4.315 4.385 4.565 4.695 4.765
2825.953 4.865 5.025 5.115 5.165 5.435 5.695 5.935 6.295 6.645 6.985
2845.242 7.515 8.195 9.025 9.965 11.185 12.675 14.385 16.235 18.005 19.665
2864.532 20.965 21.765 22.295 22.305 21.955 21.555 21.015 20.655 20.465 20.295
2883.822 20.015 19.495 18.885 18.235 17.645 17.465 17.625 17.815 18.065 18.695
2903.112 19.535 20.425 21.495 22.725 24.115 25.755 27.765 29.865 32.125 34.655
2922.401 37.415 40.355 43.175 45.615 47.605 49.095 50.075 50.495 50.545 50.395
2941.691 49.975 49.455 48.605 47.665 46.915 46.475 46.635 47.525 49.035 50.905
2960.981 52.815 54.485 55.085 54.155 51.715 47.725 42.635 36.925 31.525 27.015
2980.271 23.265 20.255 17.835 15.905 14.425 13.155 12.115 11.325 10.725 10.105
2999.561 9.595 9.225 8.775 8.335 8.025 7.625 7.085 6.595 6.235 5.835
3018.850 5.495 5.105 4.695 4.465 4.255 3.985 3.865 3.805 3.645 3.565
3038.140 3.545 3.495 3.325 3.205 3.195 3.055 3.035 2.995 2.895 2.905
3057.430 2.805 2.685 2.565 2.515 2.585 2.665 2.535 2.485 2.485 2.525
3076.720 2.485 2.385 2.385 2.325 2.355 2.485 2.395 2.255 2.225 2.195
3096.009 2.185 2.195 2.275 2.265 2.185 2.225 2.265 2.115 2.055 2.145
3115.299 2.215 2.295 2.405 2.295 2.215 2.305 2.135 1.845 1.705 1.685
3134.589 1.665 1.595 1.555 1.575 1.505 1.415 1.385 1.3299 1.2888 1.2643
3153.879 1.2622 1.235 1.2182 1.197 1.2068 1.2106 1.1911 1.1557 1.0988 1.0711
3173.169 1.0624 1.0861 1.1832 1.207 1.1221 1.1996 1.2263 1.1057 1.1015 1.1646
3192.458 1.1263 1.122 1.0868 1.1106 1.2706 1.2393 1.2274 1.2699 1.1829 1.1149
3211.748 1.0519 0.9767 0.824 0.77 0.8788 0.8828 0.8342 0.7978 0.833 0.8435
3231.038 0.8616 0.8874 0.7882 0.8078 0.8678 0.7701 0.6531 0.5851 0.6006 0.6382
3250.328 0.6514 0.7372 0.7233 0.7463 0.7892 0.78 0.8214 0.8293 0.8656 0.8228
3269.617 0.7495 0.8176 0.8507 0.7379 0.7006 0.8207 0.8031 0.7255 0.7494 0.7425
3288.907 0.7335 0.7414 0.7119 0.7416 0.9052 0.8373 0.8015 0.8021 0.6931 0.7017
3308.197 0.8262 0.8263 0.7033 0.6865 0.6896 0.7407 0.867 0.9734 0.9338 0.8494
3327.487 0.7929 0.6381 0.6561 0.7865 0.7373 0.7495 0.8702 1.0115 0.9353 0.8616
3346.777 0.9937 1.1048 1.2127 1.2109 1.1365 1.1748 1.2005 1.2218 1.3596 1.2865
3366.066 1.2185 1.3305 1.445 1.535 1.665 1.735 1.715 1.815 2.015 2.135
3385.356 2.125 2.155 2.135 1.975 1.855 1.655 1.515 1.455 1.3324 1.365
3404.646 1.375 1.2973 1.1919 1.1375 1.0855 0.9501 0.912 0.885 0.8062 0.8016
3423.936 0.8933 0.9616 0.9482 0.83 0.8843 0.982 0.8818 0.8934 0.935 0.8302
3443.225 0.7273 0.7981 0.7802 0.7497 0.773 0.7236 0.7196 0.7091 0.5973 0.4788
3462.515 0.44252 0.3384 0.3413 0.44042 0.4901 0.45217 0.43051 0.41388 0.46124 0.43935
3481.805 0.36324 0.38469 0.41515 0.5159 0.40482 0.228 0.3389 0.37231 0.3036 0.4698
3501.095 0.45774 0.39494 0.5334 0.45536 0.3281 0.2768 0.256 0.3089 0.347 0.43399
3520.385 0.41298 0.3137 0.366696 0.37617 0.38245 0.36253 0.2689 0.368822 0.39324 0.3261
3539.674 0.3116 0.3445 0.41172 0.370079 0.373573 0.3619 0.306 0.37537 0.38014 0.3483
3558.964 0.3807 0.35547 0.373156 0.3394 0.2877 0.368017 0.45768 0.5201 0.4509 0.3483
3578.254 0.2761 0.3135 0.4758 0.44111 0.3393 0.3438 0.43967 0.5123 0.4898 0.3429
3597.544 0.3152 0.5156 0.5533 0.45501 0.39871 0.3069 0.319 0.373257 0.40495 0.373531
3616.833 0.26 0.2861 0.3259 0.4729 0.4941 0.4835 0.44028 0.38316 0.44685 0.44426
3636.123 0.5548 0.5849 0.5525 0.5029 0.4844 0.4992 0.3472 0.3199 0.4689 0.5158
3655.413 0.37146 0.309 0.3523 0.4792 0.5387 0.367405 0.3465 0.41828 0.4784 0.44749
3674.703 0.44963 0.5467 0.4796 0.4736 0.4419 0.38721 0.38878 0.245 0.2763 0.45352
3693.993 0.5104 0.5055 0.35775 0.38307 0.4757 0.4522 0.5019 0.547 0.5735 0.45386
3713.282 0.3539 0.369756 0.3839 0.4739 0.51 0.41615 0.4674 0.4962 0.3463 0.37799
3732.572 0.4573 0.3069 0.264 0.3441 0.3514 0.3081 0.35831 0.43817 0.4901 0.6064
3751.862 0.5759 0.4855 0.44927 0.46094 0.5852 0.4913 0.373056 0.5769 0.6821 0.5002
3771.152 0.42943 0.38842 0.44408 0.5409 0.4983 0.5167 0.4947 0.45864 0.538 0.5637
3790.441 0.43161 0.3195 0.36194 0.44929 0.39144 0.40269 0.45816 0.4895 0.5022 0.4794
3809.731 0.42774 0.3854 0.42604 0.4951 0.43704 0.37703 0.39322 0.44436 0.514 0.6129
3829.021 0.5877 0.44853 0.4788 0.582 0.5352 0.4733 0.36256 0.2659 0.3547 0.40959
3848.311 0.39755 0.42592 0.5089 0.43944 0.45951 0.367911 0.3222 0.4777 0.4756 0.3403
3867.601 0.257 0.373886 0.45059 0.3511 0.3364 0.38812 0.4694 0.3545 0.368553 0.6738
3886.890 0.5774 0.4441 0.40748 0.44628 0.5473 0.5525 0.5604 0.5033 0.4702 0.40658
3906.180 0.39398 0.40002 0.3633 0.4376 0.44421 0.43201 0.44812 0.42473 0.4018 0.4784
3925.470 0.5985 0.5887 0.5327 0.5242 0.6645 0.6315 0.4719 0.5421 0.568 0.5278
3944.760 0.55 0.40725 0.3104 0.45152 0.42472 0.43904 0.5413 0.4921 0.4847 0.4971
3964.049 0.43196 0.41479 0.44163 0.43574 0.45653 0.4415 0.4757 0.44105 0.3418 0.43705
3983.339 0.5056 0.5989 0.5827 0.5743 0.5265 0.42689 0.5854 0.6485 0.6369 0.6054
##END=
