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9-Oxo-9H-thieno[3,2-b][1]benzopyran-2-carboxylic acid
SpectraBase Compound ID GZoiga9WThw
InChI InChI=1S/C12H6O4S/c13-10-6-3-1-2-4-7(6)16-8-5-9(12(14)15)17-11(8)10/h1-5H,(H,14,15)
InChIKey GFNKHMUEWPOPHF-UHFFFAOYSA-N
Mol Weight 246.24 g/mol
Molecular Formula C12H6O4S
Exact Mass 245.99868 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GFDY41iBIUV
Name 9-Oxo-9H-thieno[3,2-b][1]benzopyran-2-carboxylic acid
CAS Registry Number 81028-71-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6O4S
InChI InChI=1S/C12H6O4S/c13-10-6-3-1-2-4-7(6)16-8-5-9(12(14)15)17-11(8)10/h1-5H,(H,14,15)
InChIKey GFNKHMUEWPOPHF-UHFFFAOYSA-N
Molecular Weight 246.236 g/mol
SMILES OC(c1sc2c(c1)Oc1c(C2=O)cccc1)=O
SPLASH splash10-0002-0090000000-5be2e3ae492af1d1481c
Source of Spectrum J-47-1758-0
Synonyms 9-Oxo-9H-thieno[3,2-b]chromene-2-carboxylic acid 9-Oxo-2-thieno[3,2-b][1]benzopyrancarboxylic acid 9-Oxothieno[3,2-b]chromene-2-carboxylic acid 9-Oxidanylidenethieno[3,2-b]chromene-2-carboxylic acid
Wiley ID 1248597