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(1S,2S,4R)-PARA-MENTHANE-1,2,8-TRIOL
SpectraBase Compound ID BvSx0TWgaju
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-MRTMQBJTSA-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 4lUU5dO79c
Name 1,2-Cyclohexanediol, 4-(1-hydroxy-1-methylethyl)-1-methyl-, [1R-(1.alpha.,2.beta.,4.beta.)]-
CAS Registry Number 93861-31-5
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-MRTMQBJTSA-N
Molecular Weight 188.267 g/mol
SMILES OC([C@]1(C[C@]([C@](CC1)(O)C)(O)[H])[H])(C)C
SPLASH splash10-0c03-9500000000-0b817c07ea690f4e6066
Source of Spectrum W5-1989-37862-27674
Synonyms (1S,2R,4R)-4-(1-hydroxy-1-methylethyl)-1-methyl-1,2-cyclohexanediol (1S,2R,4R)-p-Menthane-1,2,8-triol
Wiley ID 1184637