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2-(2-Cyano-4-nitro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
SpectraBase Compound ID 31zgrMB6ugt
InChI InChI=1S/C16H7N3O6/c17-7-9-5-10(19(24)25)2-4-13(9)18-14(20)11-3-1-8(16(22)23)6-12(11)15(18)21/h1-6H,(H,22,23)
InChIKey WGTLDKZEYUWNFI-UHFFFAOYSA-N
Mol Weight 337.25 g/mol
Molecular Formula C16H7N3O6
Exact Mass 337.033485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2JsrlOkk5i0
Name 2-(2-Cyano-4-nitro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Alternate Name(s) 2-(2-Cyano-4-nitrophenyl)-1,3-dioxo-5-isoindolinecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H7N3O6
InChI InChI=1S/C16H7N3O6/c17-7-9-5-10(19(24)25)2-4-13(9)18-14(20)11-3-1-8(16(22)23)6-12(11)15(18)21/h1-6H,(H,22,23)
InChIKey WGTLDKZEYUWNFI-UHFFFAOYSA-N
Molecular Weight 337.247 g/mol
SMILES OC(c1cc2C(N(C(c2cc1)=O)c1c(C#N)cc(N(=O)=O)cc1)=O)=O
SPLASH splash10-0072-8922000000-03661fbcf370522e0356
Wiley ID 1452417