(+)-NEOMENTHOL(2216-52-6) 1H NMR
Product Name(+)-NEOMENTHOL
CAS2216-52-6
Molecular FormulaC10H20O
Molecular Weight156.27
InChIInChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1
InChIKey NOOLISFMXDJSKH-UTLUCORTSA-N
Smiles[C@H]1(O)C[C@H](C)CC[C@H]1C(C)C
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MassMS-IW-9205 (1S-(1alpha,2alpha,5beta))-2-isopropyl-5-methylcyclohexanol C10H20O (Mass of molecular ion: 156)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 3.7 27.0 12.7 28.0 2.0 29.0 13.1 31.0 2.7 39.0 11.9 40.0 2.2 41.0 38.9 42.0 6.0 43.0 28.9 44.0 3.3 45.0 2.1 51.0 1.9 52.0 1.0 53.0 8.1 54.0 4.6 55.0 41.5 56.0 18.3 57.0 22.8 58.0 2.9 59.0 1.4 65.0 2.0 67.0 27.7 68.0 15.8 69.0 30.3 70.0 11.0 71.0 100.0 72.0 5.6 73.0 1.1 77.0 3.0 79.0 5.3 80.0 5.4 81.0 59.8 82.0 30.7 83.0 10.6 84.0 2.9 85.0 8.1 86.0 3.8 91.0 1.9 93.0 3.2 94.0 5.5 95.0 77.1 96.0 24.0 97.0 4.1 99.0 3.3 109.0 8.9 110.0 4.8 111.0 1.5 112.0 3.2 113.0 1.8 123.0 21.0 124.0 2.1 138.0 26.7 139.0 3.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H20 O 0.05 ml : 0.5 ml CDCl3 (1S-(1alpha,2alpha,5beta))-2-isopropyl-5-methylcyclohexanol 
Assign. Shift(ppm)
A 4.103 B 1.835 C 1.74 to 1.71 D 1.66 E 1.53 F 1.50 G 1.277 J 1.083 K *1 0.957 L *1 0.917 M 0.869 N 0.86 ASSIGNED BY C-H COSY.
Hz ppm Int.1641.24 4.107 165 1638.79 4.101 162 745.48 1.866 48 742.07 1.857 95 739.50 1.851 100 735.96 1.842 54 731.81 1.832 50 728.39 1.823 99 725.83 1.817 110 722.29 1.808 58 700.20 1.753 49 696.90 1.744 98 693.85 1.737 145 690.92 1.729 132 687.74 1.721 97 683.47 1.711 115 680.79 1.704 131 677.61 1.696 141 675.17 1.690 105 674.32 1.688 109 670.65 1.679 80 666.38 1.668 41 664.67 1.664 51 663.82 1.662 51 660.89 1.654 98 657.35 1.645 90 654.17 1.637 37 622.80 1.559 79 620.12 1.552 46 616.09 1.542 113 613.53 1.536 96 609.50 1.526 104 606.81 1.519 132 602.78 1.509 76 600.10 1.502 125 596.19 1.492 57 593.51 1.486 77 528.69 1.323 42 519.04 1.299 108 515.87 1.291 90 506.23 1.267 107 502.93 1.259 96 493.04 1.234 47 489.62 1.226 42 446.66 1.118 91 444.09 1.112 87 434.33 1.087 105 432.50 1.083 134 430.42 1.077 99 420.78 1.053 78 418.21 1.047 76 406.62 1.018 42 400.39 1.002 44 385.74 0.966 978 379.03 0.949 922 369.87 0.926 1000 363.28 0.909 939 360.96 0.904 169 356.57 0.893 174 350.46 0.877 908 344.12 0.862 929 339.60 0.850 150 336.55 0.843 107 332.64 0.833 58 330.08 0.826 45
in CDCl3
liquid film
