4,4'-BICYCLOHEXANOL(20601-38-1) IR1
Product Name4,4'-BICYCLOHEXANOL
CAS20601-38-1
Molecular FormulaC12H22O2
Molecular Weight198.3
InChIInChI=1S/C12H22O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h9-14H,1-8H2
InChIKey MZXNOAWIRQFYDB-UHFFFAOYSA-N
SmilesC1(C2CCC(O)CC2)CCC(O)CC1
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MassMS-NW-9598 bicyclohexyl-4,4'-diol C12H22O2 (Mass of molecular ion: 198)
Source Temperature: 260 °C Sample Temperature: 160 °C Reservoir, 75 eV
17.0 5.0 18.0 26.2 19.0 1.6 27.0 5.8 28.0 1.6 29.0 8.3 31.0 3.5 39.0 6.3 41.0 18.9 42.0 2.7 43.0 13.9 44.0 2.4 45.0 24.2 51.0 1.0 53.0 5.8 54.0 12.1 55.0 27.4 56.0 2.8 57.0 12.1 58.0 1.9 59.0 1.9 65.0 2.4 66.0 3.5 67.0 40.6 68.0 5.4 69.0 6.7 70.0 4.5 71.0 1.5 77.0 4.4 78.0 13.5 79.0 40.3 80.0 49.1 81.0 100.0 82.0 19.3 83.0 9.7 84.0 1.4 91.0 11.4 92.0 6.5 93.0 11.2 94.0 41.2 95.0 14.2 96.0 3.8 97.0 5.2 98.0 2.1 99.0 2.6 104.0 1.2 105.0 5.5 106.0 4.3 107.0 18.5 108.0 7.5 109.0 2.5 117.0 1.0 119.0 8.2 120.0 10.0 121.0 13.7 122.0 2.7 123.0 3.4 124.0 2.5 125.0 1.0 133.0 16.5 134.0 12.2 135.0 2.0 136.0 3.1 137.0 5.2 147.0 8.3 148.0 1.0 151.0 3.1 160.0 1.3 161.0 1.0 162.0 21.9 163.0 3.8 178.0 1.0 180.0 1.1
KBr disc
nujol mull
