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(trans)-4-Methyl-2-phenylsulfanyl-cyclohexanone
SpectraBase Compound ID KZy5W5UIyAk
InChI InChI=1S/C13H16OS/c1-10-7-8-12(14)13(9-10)15-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3/t10-,13+/m0/s1
InChIKey JQVIKAOAHLGSBS-GXFFZTMASA-N
Mol Weight 220.33 g/mol
Molecular Formula C13H16OS
Exact Mass 220.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2UyhWFQAD7q
Name (trans)-4-Methyl-2-phenylsulfanyl-cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16OS
InChI InChI=1S/C13H16OS/c1-10-7-8-12(14)13(9-10)15-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3/t10-,13+/m0/s1
InChIKey JQVIKAOAHLGSBS-GXFFZTMASA-N
Literature Reference DOI 10.1039/C5RA17913K
Molecular Weight 220.330 g/mol
SMILES C1C([C@@](C[C@](C1)(C)[H])(Sc1ccccc1)[H])=O
SPLASH splash10-0229-3970000000-63baa12a288b55d530c7
Source of Spectrum RSA-5-96701-4e_major
Synonyms (2R,4S)-4-methyl-2-(phenylthio)cyclohexan-1-one
Wiley ID 1802713