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4-{[1-Carboxy-2-(2-nitrophenyl)ethylidene]amino}benzoic acid

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

4-{[1-Carboxy-2-(2-nitrophenyl)ethylidene]amino}benzoic acid
SpectraBase Compound ID bTDun1pdtl
InChI InChI=1S/C16H12N2O6/c19-15(20)10-5-7-12(8-6-10)17-13(16(21)22)9-11-3-1-2-4-14(11)18(23)24/h1-8H,9H2,(H,19,20)(H,21,22)/b17-13-
InChIKey GSGSURYOQOITAK-LGMDPLHJSA-N
Mol Weight 328.28 g/mol
Molecular Formula C16H12N2O6
Exact Mass 328.069536 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GkNt0tvA9MC
Name 4-{[1-Carboxy-2-(2-nitrophenyl)ethylidene]amino}benzoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.069536108 u
Formula C16H12N2O6
InChI InChI=1S/C16H12N2O6/c19-15(20)10-5-7-12(8-6-10)17-13(16(21)22)9-11-3-1-2-4-14(11)18(23)24/h1-8H,9H2,(H,19,20)(H,21,22)/b17-13-
InChIKey GSGSURYOQOITAK-LGMDPLHJSA-N
Molecular Weight 328.280 g/mol
SMILES C(\C(=N\C1=CC=C(C=C1)C(O)=O)C(O)=O)C1=CC=CC=C1N(=O)=O