SpectraBase Spectrum ID |
ITjyWGNSNt1 |
Name |
Benzoic acid, 2-(3-amino-4-chlorobenzoylamino)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
290.045819919 u |
Formula |
C14H11ClN2O3 |
InChI |
InChI=1S/C14H11ClN2O3/c15-10-6-5-8(7-11(10)16)13(18)17-12-4-2-1-3-9(12)14(19)20/h1-7H,16H2,(H,17,18)(H,19,20) |
InChIKey |
YHVJKWLRXKJIIC-UHFFFAOYSA-N |
SMILES |
C1(=C(NC(C2=CC(N)=C(C=C2)Cl)=O)C=CC=C1)C(=O)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956089 |