| SpectraBase Spectrum ID |
LqAg7zN58aw |
| Name |
Biphenyl-4-carboxamide, N-(4-methyl-2-nitrophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.116092380 u |
| Formula |
C20H16N2O3 |
| InChI |
InChI=1S/C20H16N2O3/c1-14-7-12-18(19(13-14)22(24)25)21-20(23)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,21,23) |
| InChIKey |
PSNKLULGQXBRPD-UHFFFAOYSA-N |
| Molecular Weight |
332.359 g/mol |
| SMILES |
C1(=C(C=C(C=C1)C)N(=O)=O)NC(C1=CC=C(C2=CC=CC=C2)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961996 |
