TRANS-P-MENTHANE-3,8-DIOL(3564-98-5) IR2
Product NameTRANS-P-MENTHANE-3,8-DIOL
CAS3564-98-5
Molecular FormulaC10H20O2
Molecular Weight172.26
InChIInChI=1/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9-/s3
InChIKey LMXFTMYMHGYJEI-ALTNPLPDNA-N
SmilesC(O)(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O |&1:4,7,10,r|
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MassMS-IW-6153 (1alpha,3alpha,4beta)-p-menthane-3,8-diol C10H20O2 (Mass of molecular ion: 172)
Source Temperature: 110 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 1.7 27.0 3.0 29.0 4.2 31.0 3.8 39.0 4.0 41.0 12.9 42.0 1.6 43.0 31.3 44.0 1.2 45.0 1.0 53.0 3.0 54.0 26.4 55.0 18.6 56.0 3.9 57.0 4.0 58.0 1.0 59.0 95.2 60.0 3.6 61.0 1.6 66.0 1.3 67.0 17.2 68.0 19.1 69.0 11.5 70.0 2.5 71.0 5.3 77.0 13.3 79.0 2.8 80.0 1.6 81.0 100.0 82.0 7.9 83.0 2.7 84.0 3.1 85.0 1.2 93.0 3.2 94.0 1.5 95.0 14.7 96.0 85.8 97.0 8.7 98.0 2.2 109.0 3.0 110.0 3.6 111.0 4.3 112.0 2.3 121.0 5.8 136.0 2.6 137.0 2.7 139.0 11.8 140.0 1.2 154.0 4.2 155.0 3.4 157.0 5.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H20 O2 0.040 g : 0.5 ml CDCl3 (1alpha,3alpha,4beta)-p-menthane-3,8-diol 
Assign. Shift(ppm)
A *1 4.60 B *1 4.37 C 3.709 D 1.934 E 1.69 F 1.65 G 1.44 J 1.39 K 1.212 L 1.046 M 0.92 N 0.916 P 0.91 ASSIGNED BY H-H COSY
Hz ppm Int.1484.38 3.715 30 1480.35 3.705 30 670.90 1.679 38 667.48 1.671 30 484.62 1.213 1000 422.85 1.059 37 421.75 1.056 54 410.89 1.029 49 369.26 0.924 349 365.23 0.914 57 362.79 0.908 309 359.74 0.901 62
in CDCl3
KBr disc
nujol mull
