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2-(1,3-diketo-4H-isoquinolin-2-yl)benzoic acid
SpectraBase Compound ID 7g7cNKBrUac
InChI InChI=1S/C16H11NO4/c18-14-9-10-5-1-2-6-11(10)15(19)17(14)13-8-4-3-7-12(13)16(20)21/h1-8H,9H2,(H,20,21)
InChIKey CWZKXXHVUCKMBA-UHFFFAOYSA-N
Mol Weight 281.27 g/mol
Molecular Formula C16H11NO4
Exact Mass 281.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMhgIckM7vh
Name 2-(1,3-diketo-4H-isoquinolin-2-yl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11NO4
InChI InChI=1S/C16H11NO4/c18-14-9-10-5-1-2-6-11(10)15(19)17(14)13-8-4-3-7-12(13)16(20)21/h1-8H,9H2,(H,20,21)
InChIKey CWZKXXHVUCKMBA-UHFFFAOYSA-N
Molecular Weight 281.267 g/mol
SMILES OC(c1c(N2C(c3ccccc3CC2=O)=O)cccc1)=O
SPLASH splash10-05mx-9450000000-c68db32f21a3f66d2d14
Source of Spectrum KC-0-4154-33
Synonyms 2-(1,3-dioxo-4H-isoquinolin-2-yl)benzoic acid 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]benzoic acid
Wiley ID 827166