| SpectraBase Spectrum ID |
6NGp0AOQkF7 |
| Name |
1,3(2H,4H)-Quinazolinediacetic acid, 2,4-dioxo-, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.116486302 u |
| Formula |
C16H18N2O6 |
| InChI |
InChI=1S/C16H18N2O6/c1-3-23-13(19)9-17-12-8-6-5-7-11(12)15(21)18(16(17)22)10-14(20)24-4-2/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey |
LLUAYJXMQUVXFO-UHFFFAOYSA-N |
| Molecular Weight |
334.328 g/mol |
| SMILES |
C1(N(C(C2=C(N1CC(=O)OCC)C=CC=C2)=O)CC(=O)OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982408 |
