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1-Hepten-3-one, 6,6-dimethyl-5-(phenylthio)-
SpectraBase Compound ID IUpGKSMm59q
InChI InChI=1S/C15H20OS/c1-5-12(16)11-14(15(2,3)4)17-13-9-7-6-8-10-13/h5-10,14H,1,11H2,2-4H3
InChIKey XILGQOIHXQWTSZ-UHFFFAOYSA-N
Mol Weight 248.38 g/mol
Molecular Formula C15H20OS
Exact Mass 248.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KAj5UnzTBI6
Name 1-Hepten-3-one, 6,6-dimethyl-5-(phenylthio)-
CAS Registry Number 109023-25-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20OS
InChI InChI=1S/C15H20OS/c1-5-12(16)11-14(15(2,3)4)17-13-9-7-6-8-10-13/h5-10,14H,1,11H2,2-4H3
InChIKey XILGQOIHXQWTSZ-UHFFFAOYSA-N
Molecular Weight 248.384 g/mol
SMILES C(Sc1ccccc1)(CC(C=C)=O)C(C)(C)C
SPLASH splash10-0a4i-9310000000-e4bfcb10e8d96eb651da
Source of Spectrum KC-1986-1640-21
Synonyms 6,6-Dimethyl-5-(phenylsulfanyl)-1-hepten-3-one 6,6-Dimethyl-5-phenylthiohept1-en-3-one
Wiley ID 1251231