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3-(1-Imino-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
SpectraBase Compound ID 895ZbKZQfna
InChI InChI=1S/C15H12N2O2/c16-14-13-7-2-1-4-11(13)9-17(14)12-6-3-5-10(8-12)15(18)19/h1-8,16H,9H2,(H,18,19)
InChIKey KTLYKCJUEJQXIL-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C15H12N2O2
Exact Mass 252.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8OHPNHwQSSj
Name 3-(1-Imino-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
CAS Registry Number 321689-74-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12N2O2
InChI InChI=1S/C15H12N2O2/c16-14-13-7-2-1-4-11(13)9-17(14)12-6-3-5-10(8-12)15(18)19/h1-8,16H,9H2,(H,18,19)
InChIKey KTLYKCJUEJQXIL-UHFFFAOYSA-N
Molecular Weight 252.273 g/mol
SMILES N=C1N(c2cc(C(=O)O)ccc2)Cc2ccccc12
SPLASH splash10-0ue9-6390000000-6f76811257acc0994665
Source of Spectrum AD-0-2532-0
Synonyms 3-(1-iminoisoindolin-2-yl)benzoic acid 3-(3-azanylidene-1H-isoindol-2-yl)benzoic acid 3-(3-imino-1H-isoindol-2-yl)benzoic acid Benzoic acid, 3-(1,3-dihydro-1-imino-2-isoindolyl)-
Wiley ID 1424380