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1-Oxo-1,3-dihydroisobenzofuran-4-carboxylic acid
SpectraBase Compound ID ElXNTxKyVEv
InChI InChI=1S/C9H6O4/c10-8(11)5-2-1-3-6-7(5)4-13-9(6)12/h1-3H,4H2,(H,10,11)
InChIKey VBNXTCQFKJLUEQ-UHFFFAOYSA-N
Mol Weight 178.14 g/mol
Molecular Formula C9H6O4
Exact Mass 178.026609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGRBvuk3PB2
Name 1-Oxo-1,3-dihydroisobenzofuran-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6O4
InChI InChI=1S/C9H6O4/c10-8(11)5-2-1-3-6-7(5)4-13-9(6)12/h1-3H,4H2,(H,10,11)
InChIKey VBNXTCQFKJLUEQ-UHFFFAOYSA-N
Molecular Weight 178.143 g/mol
SMILES OC(=O)c1cccc2C(=O)OCc12
SPLASH splash10-004i-3900000000-6784a55e8a6d94491344
Source of Spectrum JX-2012-721
Synonyms 1-Oxo-3H-2-benzofuran-4-carboxylic acid 1-Oxo-3H-isobenzofuran-4-carboxylic acid 1-Oxidanylidene-3H-2-benzofuran-4-carboxylic acid
Wiley ID 1661167