| SpectraBase Spectrum ID |
9BxfXQ0cXP7 |
| Name |
1,3-Dimethyl-5-(4-methylamino-3-nitrobenzyl)barbituric acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.112069626 u |
| Formula |
C14H16N4O5 |
| InChI |
InChI=1S/C14H16N4O5/c1-15-10-5-4-8(7-11(10)18(22)23)6-9-12(19)16(2)14(21)17(3)13(9)20/h4-5,7,9,15H,6H2,1-3H3 |
| InChIKey |
COUNNZIRJUMISS-UHFFFAOYSA-N |
| Molecular Weight |
320.305 g/mol |
| SMILES |
C1(N(C(C(C(N1C)=O)CC=1C=C(N(=O)=O)C(=CC1)NC)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941941 |
