| SpectraBase Spectrum ID |
CXMJ26nZXPh |
| Name |
2-Methyl-3-(3-nitro-o-tolyl)-4(3H)-quinazolinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.095691288 u |
| Formula |
C16H13N3O3 |
| InChI |
InChI=1S/C16H13N3O3/c1-10-14(8-5-9-15(10)19(21)22)18-11(2)17-13-7-4-3-6-12(13)16(18)20/h3-9H,1-2H3 |
| InChIKey |
JYEBDZDPMICYRT-UHFFFAOYSA-N |
| Molecular Weight |
295.298 g/mol |
| SMILES |
C1=CC=CC2=C1C(=O)N(C1=C(C)C(=CC=C1)N(=O)=O)C(C)=N2 |
| Spectrum/Structure Validation Score (Raman) |
0.935332 |
