| SpectraBase Spectrum ID |
BtgufQPCgHo |
| Name |
Quinazoline-7-carboxylic acid, 3-ethyl-2,4-dioxo-1,2,3,4-tetrahydro-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.079706870 u |
| Formula |
C12H12N2O4 |
| InChI |
InChI=1S/C12H12N2O4/c1-3-14-10(15)8-5-4-7(11(16)18-2)6-9(8)13-12(14)17/h4-6H,3H2,1-2H3,(H,13,17) |
| InChIKey |
LOFNHACDWNOGEM-UHFFFAOYSA-N |
| Molecular Weight |
248.238 g/mol |
| SMILES |
CCN1C(NC2=CC(=CC=C2C1=O)C(OC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8169 |
