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5-(3-Methoxyphenyl)-2-(methylthio)-4-pyranone
SpectraBase Compound ID 1nSzBQUWNTC
InChI InChI=1S/C13H12O3S/c1-15-10-5-3-4-9(6-10)11-8-16-13(17-2)7-12(11)14/h3-8H,1-2H3
InChIKey XQJADQXYRBZJPB-UHFFFAOYSA-N
Mol Weight 248.3 g/mol
Molecular Formula C13H12O3S
Exact Mass 248.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ceDvMKGOa8
Name 5-(3-Methoxyphenyl)-2-(methylthio)-4-pyranone
Alternate Name(s) 5-(3-Methoxyphenyl)-2-(methylthio)pyran-4-one 5-(3-Methoxyphenyl)-2-methylsulfanyl-pyran-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O3S
InChI InChI=1S/C13H12O3S/c1-15-10-5-3-4-9(6-10)11-8-16-13(17-2)7-12(11)14/h3-8H,1-2H3
InChIKey XQJADQXYRBZJPB-UHFFFAOYSA-N
Molecular Weight 248.296 g/mol
SMILES C1(=CC(C(=CO1)c1cc(ccc1)OC)=O)SC
SPLASH splash10-0002-0960000000-e734e17505ad9a9d859f
Source of Spectrum SO-0-895-4
Wiley ID 1539641