| SpectraBase Spectrum ID |
2rV21iCKQra |
| Name |
3-(6-Nitro-4-oxo-4H-quinazolin-3-yl)-propionic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.085520526 u |
| Formula |
C13H13N3O5 |
| InChI |
InChI=1S/C13H13N3O5/c1-2-21-12(17)5-6-15-8-14-11-4-3-9(16(19)20)7-10(11)13(15)18/h3-4,7-8H,2,5-6H2,1H3 |
| InChIKey |
WONJIRZTJDZEMG-UHFFFAOYSA-N |
| SMILES |
C1=C(C=C2C(=C1)N=CN(C2=O)CCC(OCC)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84818 |
