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((4-hydroxy-2-oxo-2H-benzopyran-3-yl)thio)acetic acid
SpectraBase Compound ID DOgbBLHQGGz
InChI InChI=1S/C11H8O5S/c12-8(13)5-17-10-9(14)6-3-1-2-4-7(6)16-11(10)15/h1-4,14H,5H2,(H,12,13)
InChIKey RITFNCIOBJUXRS-UHFFFAOYSA-N
Mol Weight 252.24 g/mol
Molecular Formula C11H8O5S
Exact Mass 252.009245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BQ0xwTtWym
Name ((4-hydroxy-2-oxo-2H-benzopyran-3-yl)thio)acetic acid
Alternate Name(s) [(4-hydroxy-2-oxo-2H-chromen-3-yl)sulfanyl]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8O5S
InChI InChI=1S/C11H8O5S/c12-8(13)5-17-10-9(14)6-3-1-2-4-7(6)16-11(10)15/h1-4,14H,5H2,(H,12,13)
InChIKey RITFNCIOBJUXRS-UHFFFAOYSA-N
Molecular Weight 252.240 g/mol
SMILES OC1=C(SCC(=O)O)C(Oc2ccccc12)=O
SPLASH splash10-00di-5950000000-63ae945a1be4c9dbb033
Source of Spectrum RB-1982-12680-0
Wiley ID 1255064