| SpectraBase Spectrum ID |
EL5Rszldh5I |
| Name |
Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.064391159 u |
| Formula |
C11H9N3O3 |
| InChI |
InChI=1S/C11H9N3O3/c15-10(16)7-1-3-8(4-2-7)13-9-5-6-12-11(17)14-9/h1-6H,(H,15,16)(H2,12,13,14,17) |
| InChIKey |
HAWKRBCTLSYJEC-UHFFFAOYSA-N |
| Molecular Weight |
231.211 g/mol |
| SMILES |
C(O)(=O)C1=CC=C(C=C1)NC=1C=CNC(=O)N1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902534 |
![Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-](/api/spectrum/EL5Rszldh5I/structure.png?h=300&w=458 "Benzoic acid, 4-[(1,2-dihydro-2-oxo-4-pyrimidinyl)amino]-")
