| SpectraBase Spectrum ID |
JZZKtwCxVuD |
| Name |
2-(4-oxo-3,4-Dihydroquinazolin-2-yl)cyclopropane-1,1,dicaroxylic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.121571683 u |
| Formula |
C17H18N2O5 |
| InChI |
InChI=1S/C17H18N2O5/c1-3-23-15(21)17(16(22)24-4-2)9-11(17)13-18-12-8-6-5-7-10(12)14(20)19-13/h5-8,11H,3-4,9H2,1-2H3,(H,18,19,20) |
| InChIKey |
JJXWXBUMNQCBEK-UHFFFAOYSA-N |
| Molecular Weight |
330.340 g/mol |
| SMILES |
C1(C(C=2NC(=O)C3=C(N2)C=CC=C3)C1)(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959441 |
