For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(trans)-4-tert-Butyl-2-(4-methoxyphenylsulfanyl)cyclohexanone
SpectraBase Compound ID Jik2eKfTcjx
InChI InChI=1S/C17H24O2S/c1-17(2,3)12-5-10-15(18)16(11-12)20-14-8-6-13(19-4)7-9-14/h6-9,12,16H,5,10-11H2,1-4H3/t12-,16+/m0/s1
InChIKey VTNCZSLSAXBTBO-BLLLJJGKSA-N
Mol Weight 292.44 g/mol
Molecular Formula C17H24O2S
Exact Mass 292.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JXkiXr6GPIs
Name (trans)-4-tert-Butyl-2-(4-methoxyphenylsulfanyl)cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O2S
InChI InChI=1S/C17H24O2S/c1-17(2,3)12-5-10-15(18)16(11-12)20-14-8-6-13(19-4)7-9-14/h6-9,12,16H,5,10-11H2,1-4H3/t12-,16+/m0/s1
InChIKey VTNCZSLSAXBTBO-BLLLJJGKSA-N
Literature Reference DOI 10.1039/C5RA17913K
Molecular Weight 292.437 g/mol
SMILES C1C([C@@](C[C@](C1)(C(C)(C)C)[H])(Sc1ccc(cc1)OC)[H])=O
SPLASH splash10-0006-0690000000-c76ad3b1a4db19886f41
Source of Spectrum RSA-5-96702-7d_major
Synonyms (2R,4S)-4-(tert-butyl)-2-((4-methoxyphenyl)thio)cyclohexan-1-one
Wiley ID 1802724