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2,5-bis[(o-Aminophenyl)carbamoyl]terephthalic acid

View entire compound with spectra: 1 FTIR, and 1 Raman

2,5-bis[(o-Aminophenyl)carbamoyl]terephthalic acid
SpectraBase Compound ID IlbVC6K0evt
InChI InChI=1S/C22H18N4O6/c23-15-5-1-3-7-17(15)25-19(27)11-9-14(22(31)32)12(10-13(11)21(29)30)20(28)26-18-8-4-2-6-16(18)24/h1-10H,23-24H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)
InChIKey IOEXLIKLXILUCR-UHFFFAOYSA-N
Mol Weight 434.41 g/mol
Molecular Formula C22H18N4O6
Exact Mass 434.122634 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID GOqBckUgc7t
Name 2,5-bis[(o-Aminophenyl)carbamoyl]terephthalic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.122634310 u
Formula C22H18N4O6
InChI InChI=1S/C22H18N4O6/c23-15-5-1-3-7-17(15)25-19(27)11-9-14(22(31)32)12(10-13(11)21(29)30)20(28)26-18-8-4-2-6-16(18)24/h1-10H,23-24H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)
InChIKey IOEXLIKLXILUCR-UHFFFAOYSA-N
SMILES NC1=C(C=CC=C1)NC(C=1C(=CC(C(=O)NC=2C(=CC=CC2)N)=C(C1)C(=O)O)C(=O)O)=O
Spectrum/Structure Validation Score (Raman) 0.817226