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(1S,2S,4R)-1-methyl-4-(2-oxidanylpropan-2-yl)cyclohexane-1,2-diol
SpectraBase Compound ID FibFRAADk3M
InChI InChI=1S/C10H20O3/c1-9(2,12)7-4-5-10(3,13)8(11)6-7/h7-8,11-13H,4-6H2,1-3H3/t7-,8+,10+/m1/s1
InChIKey KANCZQSRUGHECB-WEDXCCLWSA-N
Mol Weight 188.27 g/mol
Molecular Formula C10H20O3
Exact Mass 188.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRldRotSTYP
Name (1S,2S,4R)-1-methyl-4-(2-oxidanylpropan-2-yl)cyclohexane-1,2-diol
CAS Registry Number 93861-32-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O3
InChI InChI=1S/C10H20O3/c1-9(2,12)7-4-5-10(3,13)8(11)6-7/h7-8,11-13H,4-6H2,1-3H3/t7-,8+,10+/m1/s1
InChIKey KANCZQSRUGHECB-WEDXCCLWSA-N
Molecular Weight 188.267 g/mol
SMILES OC([C@]1(C[C@@]([C@](CC1)(O)C)(O)[H])[H])(C)C
SPLASH splash10-0abc-9300000000-918d919d0699684b6d1f
Source of Spectrum W5-1989-37863-27673
Synonyms (1S,2S,4R)-4-(1-hydroxy-1-methyl-ethyl)-1-methyl-cyclohexane-1,2-diol (1S,2S,4R)-4-(2-hydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol
Wiley ID 1184638