1,2-Cyclohexanediol(931-17-9) 1H NMR
Product Name1,2-Cyclohexanediol
CAS931-17-9
Molecular FormulaC6H12O2
Molecular Weight116.16
InChIInChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2
InChIKey PFURGBBHAOXLIO-UHFFFAOYSA-N
SmilesC1(O)CCCCC1O
-
MassMS-NW-4669 1,2-cyclohexanediol C6H12O2 (Mass of molecular ion: 116)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.7 18.0 3.3 19.0 2.2 26.0 2.4 27.0 18.6 28.0 5.4 29.0 13.4 30.0 1.2 31.0 12.4 38.0 1.6 39.0 16.2 40.0 3.8 41.0 38.5 42.0 34.5 43.0 19.0 44.0 34.4 45.0 6.0 47.0 1.6 50.0 1.2 51.0 1.9 53.0 3.9 54.0 11.7 55.0 17.5 56.0 11.2 57.0 72.8 58.0 4.0 60.0 2.4 65.0 1.0 67.0 6.5 68.0 3.9 69.0 18.2 70.0 100.0 71.0 6.4 72.0 1.8 73.0 2.0 74.0 1.8 77.0 1.1 79.0 3.6 80.0 9.0 81.0 2.7 83.0 29.0 84.0 1.7 85.0 1.4 86.0 1.0 97.0 7.5 98.0 30.5 99.0 2.4 116.0 10.2
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
