| SpectraBase Spectrum ID |
JtXTpRMiArI |
| Name |
7-Phenoxy-2,3-dimethyl-5-nitroquinazoline-4(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.090605907 u |
| Formula |
C16H13N3O4 |
| InChI |
InChI=1S/C16H13N3O4/c1-10-17-13-8-12(23-11-6-4-3-5-7-11)9-14(19(21)22)15(13)16(20)18(10)2/h3-9H,1-2H3 |
| InChIKey |
AIVBCKIAQJDTNQ-UHFFFAOYSA-N |
| Molecular Weight |
311.297 g/mol |
| SMILES |
C1(C=2C(N(=O)=O)=CC(=CC2N=C(N1C)C)OC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897508 |
