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(trans)-4-tert-Butyl-2-(2-methylphenylsulfanyl)-cyclohexanone
SpectraBase Compound ID GlSfUuCwAMm
InChI InChI=1S/C17H24OS/c1-12-7-5-6-8-15(12)19-16-11-13(17(2,3)4)9-10-14(16)18/h5-8,13,16H,9-11H2,1-4H3/t13-,16+/m0/s1
InChIKey YHGMSBUFKWSSMS-XJKSGUPXSA-N
Mol Weight 276.44 g/mol
Molecular Formula C17H24OS
Exact Mass 276.154787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4uXbu21YrQ
Name (trans)-4-tert-Butyl-2-(2-methylphenylsulfanyl)-cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24OS
InChI InChI=1S/C17H24OS/c1-12-7-5-6-8-15(12)19-16-11-13(17(2,3)4)9-10-14(16)18/h5-8,13,16H,9-11H2,1-4H3/t13-,16+/m0/s1
InChIKey YHGMSBUFKWSSMS-XJKSGUPXSA-N
Literature Reference DOI 10.1039/C5RA17913K
Molecular Weight 276.438 g/mol
SMILES C1C([C@@](C[C@](C1)(C(C)(C)C)[H])(Sc1c(cccc1)C)[H])=O
SPLASH splash10-004i-1390000000-0eb3e261a9efcf9e9518
Source of Spectrum RSA-5-96701-7b_major
Synonyms (2R,4S)-4-(tert-butyl)-2-(o-tolylthio)cyclohexan-1-one
Wiley ID 1802722