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2-Methyl-4-oxothiapyrano[2,3-c]-1-benzopyran-54H)-one
SpectraBase Compound ID GoG8cF7IVOy
InChI InChI=1S/C13H8O3S/c1-7-6-9(14)11-12(17-7)8-4-2-3-5-10(8)16-13(11)15/h2-6H,1H3
InChIKey XFDGEOXNULHJFA-UHFFFAOYSA-N
Mol Weight 244.26 g/mol
Molecular Formula C13H8O3S
Exact Mass 244.019415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EstlNwWcNeF
Name 2-Methyl-4-oxothiapyrano[2,3-c]-1-benzopyran-54H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8O3S
InChI InChI=1S/C13H8O3S/c1-7-6-9(14)11-12(17-7)8-4-2-3-5-10(8)16-13(11)15/h2-6H,1H3
InChIKey XFDGEOXNULHJFA-UHFFFAOYSA-N
Molecular Weight 244.264 g/mol
SMILES C12=C(SC(=CC2=O)C)c2ccccc2OC1=O
SPLASH splash10-00kf-0190000000-a34088ec21093f375525
Source of Spectrum SO-0-316-7
Wiley ID 1539178