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5-(1,3-benzodioxol-5-yl)-2-(methylthio)-4-pyranone
SpectraBase Compound ID 8j5n4JfXdcX
InChI InChI=1S/C13H10O4S/c1-18-13-5-10(14)9(6-15-13)8-2-3-11-12(4-8)17-7-16-11/h2-6H,7H2,1H3
InChIKey DZLURZBKXQXIHS-UHFFFAOYSA-N
Mol Weight 262.28 g/mol
Molecular Formula C13H10O4S
Exact Mass 262.02998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45rXEiZqV6
Name 5-(1,3-benzodioxol-5-yl)-2-(methylthio)-4-pyranone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10O4S
InChI InChI=1S/C13H10O4S/c1-18-13-5-10(14)9(6-15-13)8-2-3-11-12(4-8)17-7-16-11/h2-6H,7H2,1H3
InChIKey DZLURZBKXQXIHS-UHFFFAOYSA-N
Molecular Weight 262.279 g/mol
SMILES C1(=CC(C(=CO1)c1cc2c(cc1)OCO2)=O)SC
SPLASH splash10-03di-0940000000-41c38d175ffb3dd6dbd5
Source of Spectrum SO-0-895-4
Synonyms 5-(1,3-benzodioxol-5-yl)-2-(methylthio)pyran-4-one 5-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-pyran-4-one
Wiley ID 1539638