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5-Methoxy-2,2-dimethyl-6-(methylthio)-7-phenyl-3-heptanone
SpectraBase Compound ID cgt9U82TB5
InChI InChI=1S/C17H26O2S/c1-17(2,3)16(18)12-14(19-4)15(20-5)11-13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3
InChIKey HPXTXFGGYOWRAK-UHFFFAOYSA-N
Mol Weight 294.45 g/mol
Molecular Formula C17H26O2S
Exact Mass 294.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3IeXPgGNiWR
Name 5-Methoxy-2,2-dimethyl-6-(methylthio)-7-phenyl-3-heptanone
Alternate Name(s) 5-Methoxy-2,2-dimethyl-6-(methylsulfanyl)-7-phenyl-3-heptanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O2S
InChI InChI=1S/C17H26O2S/c1-17(2,3)16(18)12-14(19-4)15(20-5)11-13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3
InChIKey HPXTXFGGYOWRAK-UHFFFAOYSA-N
Molecular Weight 294.453 g/mol
SMILES C(CC(C(Cc1ccccc1)SC)OC)(C(C)(C)C)=O
SPLASH splash10-0r09-9440000000-6d6fb93791a06bb4285e
Source of Spectrum J-58-585-3
Wiley ID 1297246