Product NameDL-ISOPINOCAMPHEOL
CAS51152-11-5
Molecular FormulaC10H18O
Molecular Weight154.25
InChI
InChIKey
Smiles
Mass
MS-IW-0742 (+-)-3-pinanol C10H18O (Mass of molecular ion: 154)
Source Temperature: 190 °C Sample Temperature: 160 °C Reservoir, 75 eV
18.0 1.7 27.0 5.7 29.0 8.0 31.0 1.1 39.0 7.3 40.0 1.2 41.0 28.0 42.0 6.5 43.0 54.9 44.0 1.7 45.0 1.0 51.0 1.4 53.0 5.2 54.0 1.7 55.0 40.6 56.0 6.0 57.0 6.4 58.0 1.7 65.0 2.1 67.0 12.5 68.0 3.8 69.0 46.3 70.0 100.0 71.0 15.2 72.0 1.5 77.0 4.5 79.0 9.5 80.0 4.6 81.0 31.8 82.0 6.8 83.0 20.9 84.0 52.1 85.0 7.4 91.0 5.0 92.0 7.1 93.0 22.8 94.0 4.9 95.0 20.6 96.0 3.8 97.0 3.0 98.0 12.2 99.0 6.4 105.0 1.8 107.0 6.1 108.0 1.4 110.0 9.0 111.0 2.8 121.0 10.9 122.0 1.1 136.0 5.2 137.0 1.1 139.0 1.2
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C10 H18 O | 0.040 g : 0.5 ml DMSO-d6 |
(+-)-3-pinanol |
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Assign. Shift(ppm) |
Hz ppm Int.
1862.79 4.662 282 1857.54 4.648 295 1533.08 3.837 70 1528.32 3.825 81 1523.93 3.814 84 1518.92 3.801 78 1513.79 3.788 33 945.07 2.365 31 943.85 2.362 31 941.53 2.356 30 935.67 2.342 34 933.72 2.337 42 931.64 2.332 48 930.18 2.328 38 927.86 2.322 35 921.39 2.306 62 918.82 2.300 51 915.28 2.291 68 912.96 2.285 60 909.42 2.276 52 906.01 2.268 71 903.69 2.262 56 899.90 2.252 36 897.58 2.246 31 746.58 1.869 40 744.51 1.863 82 741.33 1.855 84 738.65 1.849 118 736.45 1.843 74 731.45 1.831 82 729.49 1.826 49 726.07 1.817 42 724.12 1.812 54 692.87 1.734 58 690.92 1.729 57 686.89 1.719 98 684.94 1.714 93 681.03 1.705 51 679.08 1.700 47 657.23 1.645 59 654.66 1.639 60 652.34 1.633 62 649.90 1.627 58 643.43 1.610 55 640.87 1.604 55 638.67 1.599 55 636.11 1.592 52 470.34 1.177 940 418.46 1.048 773 411.13 1.029 752 408.45 1.023 213 399.17 0.999 170 354.98 0.889 1000
in DMSO-d6
KBr disc
nujol mull
DL-ISOPINOCAMPHEOL(51152-11-5) 13C NMR Atlas of Related Products
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