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3-keto-1H-isobenzofuran-1-carboxamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-keto-1H-isobenzofuran-1-carboxamide
SpectraBase Compound ID IdTcGGFamQ9
InChI InChI=1S/C9H7NO3/c10-8(11)7-5-3-1-2-4-6(5)9(12)13-7/h1-4,7H,(H2,10,11)
InChIKey UNNNRTAKJYMLEC-UHFFFAOYSA-N
Mol Weight 177.16 g/mol
Molecular Formula C9H7NO3
Exact Mass 177.042593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5P5RNIujDUX
Name 3-ketophthalan-1-carboxamide
Alternate Name(s) 3-Oxidanylidene-1H-2-benzofuran-1-carboxamide 3-Oxo-1H-2-benzofuran-1-carboxamide 3-Oxo-1H-isobenzofuran-1-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO3
InChI InChI=1S/C9H7NO3/c10-8(11)7-5-3-1-2-4-6(5)9(12)13-7/h1-4,7H,(H2,10,11)
InChIKey UNNNRTAKJYMLEC-UHFFFAOYSA-N
Molecular Weight 177.159 g/mol
SMILES NC(C1OC(c2ccccc12)=O)=O
SPLASH splash10-001i-0900000000-3cb78ae2a03e4f720b04
Source of Spectrum F-51-6301-6
Wiley ID 792256