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9-Oxo-9H-thieno[3,2-b][1]benzothiopyran-2-carboxylic acid
SpectraBase Compound ID By8Uo2NcHwX
InChI InChI=1S/C12H6O3S2/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 PRVVZCPVBKUMSB-UHFFFAOYSA-N
Mol Weight 262.3 g/mol
Molecular Formula C12H6O3S2
Exact Mass 261.975836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BTkrFLaurXS
Name 9-Oxo-9H-thieno[3,2-b][1]benzothiopyran-2-carboxylic acid
CAS Registry Number 81028-80-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6O3S2
InChI InChI=1S/C12H6O3S2/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 PRVVZCPVBKUMSB-UHFFFAOYSA-N
Molecular Weight 262.297 g/mol
SMILES OC(c1sc2c(c1)Sc1c(C2=O)cccc1)=O
SPLASH splash10-03di-0190000000-39071ab8adc27b51921f
Source of Spectrum J-47-1758-0
Wiley ID 1265396