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3-Phenylthioacetylcyclohexanol
SpectraBase Compound ID 9WEZCtfMWcM
InChI InChI=1S/C14H18O2S/c15-12-6-4-5-11(9-12)14(16)10-17-13-7-2-1-3-8-13/h1-3,7-8,11-12,15H,4-6,9-10H2/t11-,12-/m1/s1
InChIKey BODRPEVGRAMTDM-VXGBXAGGSA-N
Mol Weight 250.36 g/mol
Molecular Formula C14H18O2S
Exact Mass 250.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DqWQ2F0a2P
Name 3-Phenylthioacetylcyclohexanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2S
InChI InChI=1S/C14H18O2S/c15-12-6-4-5-11(9-12)14(16)10-17-13-7-2-1-3-8-13/h1-3,7-8,11-12,15H,4-6,9-10H2/t11-,12-/m1/s1
InChIKey BODRPEVGRAMTDM-VXGBXAGGSA-N
Molecular Weight 250.356 g/mol
SMILES O[C@]1(C[C@](C(CSc2ccccc2)=O)(CCC1)[H])[H]
SPLASH splash10-001i-9810000000-6a1bb866481929cd1f02
Source of Spectrum F-49-2020-2
Synonyms 1-((1R,3R)-3-Hydroxy-cyclohexyl)-2-phenylsulfanyl-ethanone S-(3-hydroxycyclohexyl) phenylethanethioate
Wiley ID 1253255