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5-(4-Methoxyphenyl)-2-(methylthio)-4-pyranone
SpectraBase Compound ID 3eauKw61Mcl
InChI InChI=1S/C13H12O3S/c1-15-10-5-3-9(4-6-10)11-8-16-13(17-2)7-12(11)14/h3-8H,1-2H3
InChIKey MGUHEDJJVLEKQR-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 7n8FPjH2AYL
Name 5-(4-Methoxyphenyl)-2-(methylthio)-4-pyranone
Alternate Name(s) 5-(4-Methoxyphenyl)-2-(methylthio)pyran-4-one 5-(4-Methoxyphenyl)-2-methylsulfanyl-pyran-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O3S
InChI InChI=1S/C13H12O3S/c1-15-10-5-3-9(4-6-10)11-8-16-13(17-2)7-12(11)14/h3-8H,1-2H3
InChIKey MGUHEDJJVLEKQR-UHFFFAOYSA-N
Molecular Weight 248.296 g/mol
SMILES C1(=CC(C(=CO1)c1ccc(cc1)OC)=O)SC
SPLASH splash10-003r-0910000000-87f1fdd4a0166086f6c6
Source of Spectrum SO-0-895-4
Wiley ID 1539642