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9H-Xanthene-2-carboxylic acid, 7-(methylthio)-9-oxo-
SpectraBase Compound ID Kmkh0R9xM5w
InChI InChI=1S/C15H10O4S/c1-20-9-3-5-13-11(7-9)14(16)10-6-8(15(17)18)2-4-12(10)19-13/h2-7H,1H3,(H,17,18)
InChIKey GEMHNGLORSISHO-UHFFFAOYSA-N
Mol Weight 286.3 g/mol
Molecular Formula C15H10O4S
Exact Mass 286.02998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jWqeW92ml5
Name 9H-Xanthene-2-carboxylic acid, 7-(methylthio)-9-oxo-
CAS Registry Number 40363-76-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H10O4S
InChI InChI=1S/C15H10O4S/c1-20-9-3-5-13-11(7-9)14(16)10-6-8(15(17)18)2-4-12(10)19-13/h2-7H,1H3,(H,17,18)
InChIKey GEMHNGLORSISHO-UHFFFAOYSA-N
Molecular Weight 286.301 g/mol
SMILES OC(c1cc2C(c3cc(SC)ccc3Oc2cc1)=O)=O
SPLASH splash10-000i-0090000000-1d114ba90f44e5673695
Source of Spectrum KC-1978-881-0
Synonyms 7-(methylthio)-9-oxo-2-xanthenecarboxylic acid 7-(methylthio)-9-oxo-9H-xanthene-2-carboxylic acid 7-Methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid 7-Methylsulfanyl-9-oxo-xanthene-2-carboxylic acid 9-keto-7-(methylthio)xanthene-2-carboxylic acid
Wiley ID 1289603