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Cyclohexanone, 2-(acetyloxy)-6-(phenylmethyl)-2-(phenylthio)-
SpectraBase Compound ID Fa4f7IY5wPx
InChI InChI=1S/C21H22O3S/c1-16(22)24-21(25-19-12-6-3-7-13-19)14-8-11-18(20(21)23)15-17-9-4-2-5-10-17/h2-7,9-10,12-13,18H,8,11,14-15H2,1H3
InChIKey YJPZUWSCLGASNR-UHFFFAOYSA-N
Mol Weight 354.46 g/mol
Molecular Formula C21H22O3S
Exact Mass 354.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KpDnh3r5xM
Name Cyclohexanone, 2-(acetyloxy)-6-(phenylmethyl)-2-(phenylthio)-
CAS Registry Number 63608-53-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O3S
InChI InChI=1S/C21H22O3S/c1-16(22)24-21(25-19-12-6-3-7-13-19)14-8-11-18(20(21)23)15-17-9-4-2-5-10-17/h2-7,9-10,12-13,18H,8,11,14-15H2,1H3
InChIKey YJPZUWSCLGASNR-UHFFFAOYSA-N
Molecular Weight 354.464 g/mol
SMILES C1(C(C(Cc2ccccc2)CCC1)=O)(OC(=O)C)Sc1ccccc1
SPLASH splash10-0006-9511000000-df984ba3173b0aa216af
Source of Spectrum C-99-4410-0
Synonyms 2-Phenylthio-2-acetoxy-6-benzylcyclohexanone 3-Benzyl-2-oxo-1-(phenylsulfanyl)cyclohexyl acetate Acetic acid [2-oxo-3-(phenylmethyl)-1-(phenylthio)cyclohexyl] ester (3-benzyl-2-oxo-1-phenylsulfanylcyclohexyl) acetate (3-benzyl-2-oxo-1-phenylsulfanyl-cyclohexyl) acetate [2-oxidanylidene-3-(phenylmethyl)-1-phenylsulfanyl-cyclohexyl] ethanoate
Wiley ID 1344668