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cis-6-Phenylthio-4-hydroxy-2-cyclohexenone
SpectraBase Compound ID 28OWg0IEKJb
InChI InChI=1S/C12H12O2S/c13-9-6-7-11(14)12(8-9)15-10-4-2-1-3-5-10/h1-7,9,12-13H,8H2/t9-,12-/m1/s1
InChIKey ZYAZWENVCGXGCH-BXKDBHETSA-N
Mol Weight 220.29 g/mol
Molecular Formula C12H12O2S
Exact Mass 220.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ociWtGmvuj
Name cis-6-Phenylthio-4-hydroxy-2-cyclohexenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2S
InChI InChI=1S/C12H12O2S/c13-9-6-7-11(14)12(8-9)15-10-4-2-1-3-5-10/h1-7,9,12-13H,8H2/t9-,12-/m1/s1
InChIKey ZYAZWENVCGXGCH-BXKDBHETSA-N
Molecular Weight 220.286 g/mol
SMILES O[C@@]1(C=CC([C@](Sc2ccccc2)(C1)[H])=O)[H]
SPLASH splash10-01q0-4910000000-f9c553fcfc8b1dc28ee2
Source of Spectrum QC-11-4479-7
Synonyms (4R,6S)-4-hydroxy-6-(phenylsulfanyl)-2-cyclohexen-1-one
Wiley ID 860231