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cis-6-[(2,2-Dimethylpropyl)-2,2-dimethyl-5-[(phenylthio)methyl]cyclohexanone
SpectraBase Compound ID C0NzHUQI47U
InChI InChI=1S/C20H30OS/c1-19(2,3)13-17-15(11-12-20(4,5)18(17)21)14-22-16-9-7-6-8-10-16/h6-10,15,17H,11-14H2,1-5H3/t15-,17+/m1/s1
InChIKey WRJNTZHEQJKBSL-WBVHZDCISA-N
Mol Weight 318.52 g/mol
Molecular Formula C20H30OS
Exact Mass 318.201737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYUM4lfJqwq
Name cis-6-[(2,2-Dimethylpropyl)-2,2-dimethyl-5-[(phenylthio)methyl]cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30OS
InChI InChI=1S/C20H30OS/c1-19(2,3)13-17-15(11-12-20(4,5)18(17)21)14-22-16-9-7-6-8-10-16/h6-10,15,17H,11-14H2,1-5H3/t15-,17+/m1/s1
InChIKey WRJNTZHEQJKBSL-WBVHZDCISA-N
Molecular Weight 318.519 g/mol
SMILES C1([C@@](CC(C)(C)C)([C@@](CSc2ccccc2)(CCC1(C)C)[H])[H])=O
SPLASH splash10-0601-4923000000-80520a430d994b1970af
Source of Spectrum C-118-9840-0
Synonyms (5S,6S)-2,2-dimethyl-6-neopentyl-5-[(phenylsulfanyl)methyl]cyclohexanone
Wiley ID 759984