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3-(5,5-Dimethyl-3-oxidanylidene-cyclohexen-1-yl)sulfanyl-5,5-dimethyl-cyclohex-2-en-1-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4aNkiQiFk7j
Name 3-(5,5-Dimethyl-3-oxidanylidene-cyclohexen-1-yl)sulfanyl-5,5-dimethyl-cyclohex-2-en-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.134051120 u
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