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1,4-Cyclohexanediol, 1-methyl-, 4-benzoate, cis-
SpectraBase Compound ID 5Qte4VPYLWw
InChI InChI=1S/C14H18O3/c1-14(16)9-7-12(8-10-14)17-13(15)11-5-3-2-4-6-11/h2-6,12,16H,7-10H2,1H3/t12-,14+
InChIKey MXJROQASBUNWGE-XBXGTLAGSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ima2V5bsi0y
Name 1,4-Cyclohexanediol, 1-methyl-, 4-benzoate, cis-
CAS Registry Number 85977-98-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-14(16)9-7-12(8-10-14)17-13(15)11-5-3-2-4-6-11/h2-6,12,16H,7-10H2,1H3/t12-,14+
InChIKey MXJROQASBUNWGE-XBXGTLAGSA-N
Molecular Weight 234.295 g/mol
SMILES O[C@]1(CC[C@@](OC(=O)c2ccccc2)(CC1)[H])C
SPLASH splash10-052f-9500000000-b108227a6c5bd7c5fc55
Source of Spectrum F-39-665-0
Synonyms (4-methyl-4-hydroxycyclohexyl)ester of benzoic acid (isomer b) 4-Hydroxy-4-methylcyclohexyl benzoate
Wiley ID 1236089