| SpectraBase Spectrum ID |
6HgS8nbiGak |
| Name |
(2-Methyl-4-oxo-4H-quinazolin-3-yl)-acetic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.084792251 u |
| Formula |
C12H12N2O3 |
| InChI |
InChI=1S/C12H12N2O3/c1-8-13-10-6-4-3-5-9(10)12(16)14(8)7-11(15)17-2/h3-6H,7H2,1-2H3 |
| InChIKey |
ZNJFMTQYVDZKRV-UHFFFAOYSA-N |
| Molecular Weight |
232.239 g/mol |
| SMILES |
C1=CC=C2C(=C1)N=C(C)N(C2=O)CC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964628 |
