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3-Oxo-1,3-dihydrobenzo[c]isoxazole-5-carboxylic acid
SpectraBase Compound ID LIiSmO4OvHA
InChI InChI=1S/C8H5NO4/c10-7(11)4-1-2-6-5(3-4)8(12)13-9-6/h1-3,9H,(H,10,11)
InChIKey IVAMMYUJPWQKLF-UHFFFAOYSA-N
Mol Weight 179.13 g/mol
Molecular Formula C8H5NO4
Exact Mass 179.021858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7fiCV71Seye
Name 3-Oxo-1,3-dihydrobenzo[c]isoxazole-5-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5NO4
InChI InChI=1S/C8H5NO4/c10-7(11)4-1-2-6-5(3-4)8(12)13-9-6/h1-3,9H,(H,10,11)
InChIKey IVAMMYUJPWQKLF-UHFFFAOYSA-N
Molecular Weight 179.131 g/mol
SMILES OC(c1ccc2c(c1)C(ON2)=O)=O
SPLASH splash10-004i-6900000000-312af1ad007ca4fef718
Source of Spectrum JX-2012-773
Synonyms 3-Oxo-1H-2,1-benzoxazole-5-carboxylic acid 3-Oxidanylidene-1H-2,1-benzoxazole-5-carboxylic acid
Wiley ID 1661219