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5-(3,4-dimethoxyphenyl)-2-(methylthio)-4-pyranone
SpectraBase Compound ID IR6BNFAMa5A
InChI InChI=1S/C14H14O4S/c1-16-12-5-4-9(6-13(12)17-2)10-8-18-14(19-3)7-11(10)15/h4-8H,1-3H3
InChIKey IHZHSDBHAKXSBT-UHFFFAOYSA-N
Mol Weight 278.32 g/mol
Molecular Formula C14H14O4S
Exact Mass 278.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FCz3HcLGDGk
Name 5-(3,4-dimethoxyphenyl)-2-(methylthio)-4-pyranone
Alternate Name(s) 5-(3,4-dimethoxyphenyl)-2-(methylthio)pyran-4-one 5-(3,4-dimethoxyphenyl)-2-methylsulfanyl-pyran-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O4S
InChI InChI=1S/C14H14O4S/c1-16-12-5-4-9(6-13(12)17-2)10-8-18-14(19-3)7-11(10)15/h4-8H,1-3H3
InChIKey IHZHSDBHAKXSBT-UHFFFAOYSA-N
Molecular Weight 278.322 g/mol
SMILES C1(=CC(C(=CO1)c1cc(c(cc1)OC)OC)=O)SC
SPLASH splash10-004i-0390000000-61dc917d18c645c7fa93
Source of Spectrum SO-0-895-4
Wiley ID 1539640