| SpectraBase Spectrum ID |
Hgu2Bm1ODpP |
| Name |
2-(6-Nitro-1,3-benzodioxol-5-yl)-3-phenyl-1,2-dihydroquinazolin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.101170590 u |
| Formula |
C21H15N3O5 |
| InChI |
InChI=1S/C21H15N3O5/c25-21-14-8-4-5-9-16(14)22-20(23(21)13-6-2-1-3-7-13)15-10-18-19(29-12-28-18)11-17(15)24(26)27/h1-11,20,22H,12H2 |
| InChIKey |
REXLDFGVCFKFPF-UHFFFAOYSA-N |
| Molecular Weight |
389.367 g/mol |
| SMILES |
C1=CC=C(N2C(C=3C(N(=O)=O)=CC4=C(C3)OCO4)NC3=C(C2=O)C=CC=C3)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910129 |
