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[2S*<(S)S*]-4,4-dimethyl-2-(phenylsulfinyl)cyclohexanone
SpectraBase Compound ID Kv7Oni658fT
InChI InChI=1S/C14H18O2S/c1-14(2)9-8-12(15)13(10-14)17(16)11-6-4-3-5-7-11/h3-7,13H,8-10H2,1-2H3/t13-,17?/m0/s1
InChIKey NRWIFSLLQWXAGK-CWQZNGJJSA-N
Mol Weight 250.36 g/mol
Molecular Formula C14H18O2S
Exact Mass 250.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7iuMucmKpJf
Name [2S*<(S)S*]-4,4-dimethyl-2-(phenylsulfinyl)cyclohexanone
CAS Registry Number 124992-58-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2S
InChI InChI=1S/C14H18O2S/c1-14(2)9-8-12(15)13(10-14)17(16)11-6-4-3-5-7-11/h3-7,13H,8-10H2,1-2H3/t13-,17?/m0/s1
InChIKey NRWIFSLLQWXAGK-CWQZNGJJSA-N
Molecular Weight 250.356 g/mol
SMILES [C@]1(S(=O)c2ccccc2)(C(=O)CCC(C1)(C)C)[H]
SPLASH splash10-0a4i-9300000000-11878de65d68ba961420
Source of Spectrum J-55-2126-18
Synonyms (2S)-4,4-dimethyl-2-(phenylsulfinyl)cyclohexanone
Wiley ID 1253224