Product Nametrans-1,3-Cyclohexanediol
CAS5515-64-0
Molecular FormulaC6H12O2
Molecular Weight116.16
InChIInChI=1/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2/t5-,6-/s3
InChIKey RLMGYIOTPQVQJR-FJGCHTOXNA-N
Smiles[C@@H]1(O)CCC[C@@H](O)C1 |&1:0,5,r|
Mass
MS2010-04408CW trans-1,3-cyclohexanediol C6H12O2 (Mass of molecular ion: 116)
Source Temperature: 245 °C Sample Temperature: 25 °C Direct, 70 eV
15.0 3.2 18.0 2.5 19.0 4.3 26.0 2.0 27.0 19.3 28.0 5.3 29.0 12.0 31.0 9.7 38.0 1.8 39.0 21.0 40.0 4.0 41.0 32.6 42.0 33.6 43.0 42.8 44.0 82.2 45.0 25.2 47.0 8.9 50.0 1.4 51.0 2.5 53.0 5.7 54.0 53.2 55.0 23.0 56.0 5.8 57.0 37.8 58.0 3.1 59.0 1.9 60.0 1.0 65.0 1.1 67.0 4.0 68.0 1.4 69.0 15.2 70.0 66.0 71.0 7.7 72.0 1.7 73.0 31.6 74.0 1.5 75.0 1.8 77.0 1.9 79.0 5.7 80.0 26.4 81.0 6.5 83.0 53.0 84.0 2.9 97.0 32.3 98.0 100.0 99.0 6.7
in DMSO-d6
in CDCl3
in DMSO-d6
KBr disk
Nujol
trans-1,3-Cyclohexanediol(5515-64-0) IR1 Atlas of Related Products
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