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3-(5,5-Dimethyl-3-oxidanylidene-cyclohexen-1-yl)sulfanyl-5,5-dimethyl-cyclohex-2-en-1-one
SpectraBase Compound ID 40ol2NSKYAs
InChI InChI=1S/C16H22O2S/c1-15(2)7-11(17)5-13(9-15)19-14-6-12(18)8-16(3,4)10-14/h5-6H,7-10H2,1-4H3
InChIKey MMKYHHISONOVFW-UHFFFAOYSA-N
Mol Weight 278.41 g/mol
Molecular Formula C16H22O2S
Exact Mass 278.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzntOga3v2u
Name 3-(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)sulfanyl-5,5-dimethyl-cyclohex-2-en-1-one
CAS Registry Number 56047-57-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2S
InChI InChI=1S/C16H22O2S/c1-15(2)7-11(17)5-13(9-15)19-14-6-12(18)8-16(3,4)10-14/h5-6H,7-10H2,1-4H3
InChIKey MMKYHHISONOVFW-UHFFFAOYSA-N
Molecular Weight 278.410 g/mol
SMILES C1(=CC(=O)CC(C1)(C)C)SC1=CC(=O)CC(C1)(C)C
SPLASH splash10-02dl-6930000000-ebee2bf2b2a3e95ec6f6
Source of Spectrum SB-28-1087-4
Synonyms 3-(5,5-dimethyl-3-oxo-cyclohexen-1-yl)sulfanyl-5,5-dimethyl-cyclohex-2-en-1-one 3-[(3-keto-5,5-dimethyl-cyclohexen-1-yl)thio]-5,5-dimethyl-cyclohex-2-en-1-one 3-[(5,5-dimethyl-3-oxo-1-cyclohexenyl)thio]-5,5-dimethyl-1-cyclohex-2-enone
Wiley ID 1281987