| SpectraBase Spectrum ID |
4YrqP9M1TtM |
| Name |
1-(4-Nitrophenyl)-3-(3-pyridylmethyl)urea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.090940259 u |
| Formula |
C13H12N4O3 |
| InChI |
InChI=1S/C13H12N4O3/c18-13(15-9-10-2-1-7-14-8-10)16-11-3-5-12(6-4-11)17(19)20/h1-8H,9H2,(H2,15,16,18) |
| InChIKey |
CLKZWXHKFXZIMA-UHFFFAOYSA-N |
| SMILES |
C1=NC=C(C=C1)CNC(NC1=CC=C(C=C1)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866265 |
