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5-Methoxy-4,6-dimethyl-7-phenylthiohept-6-en-3-one
SpectraBase Compound ID AabNAj9Aycy
InChI InChI=1S/C16H22O2S/c1-5-15(17)13(3)16(18-4)12(2)11-19-14-9-7-6-8-10-14/h6-11,13,16H,5H2,1-4H3/b12-11+
InChIKey IDQZEVNAXFFLHX-VAWYXSNFSA-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 FdDXBDAOy80
Name 5-Methoxy-4,6-dimethyl-7-phenylthiohept-6-en-3-one
Alternate Name(s) (6E)-5-methoxy-4,6-dimethyl-7-(phenylsulfanyl)-6-hepten-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2S
InChI InChI=1S/C16H22O2S/c1-5-15(17)13(3)16(18-4)12(2)11-19-14-9-7-6-8-10-14/h6-11,13,16H,5H2,1-4H3/b12-11+
InChIKey IDQZEVNAXFFLHX-VAWYXSNFSA-N
Molecular Weight 278.410 g/mol
SMILES C(\C(=C\Sc1ccccc1)C)(C(C(=O)CC)C)OC
SPLASH splash10-01ox-5900000000-1d6ea8347dc2b84ad578
Source of Spectrum F-50-9396-38
Wiley ID 1282003