| SpectraBase Spectrum ID |
1LJW7IejP24 |
| Name |
2-(3-Acetyl-5-(4-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl)-4H-chromen-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.080435145 u |
| Formula |
C19H13N3O6 |
| InChI |
InChI=1S/C19H13N3O6/c1-11(23)21-19(17-10-15(24)14-4-2-3-5-16(14)27-17)28-18(20-21)12-6-8-13(9-7-12)22(25)26/h2-10,19H,1H3 |
| InChIKey |
AJCUNBWUQXYZEA-UHFFFAOYSA-N |
| Molecular Weight |
379.328 g/mol |
| SMILES |
[N+]([O-])(=O)C1=CC=C(C=2OC(C3=CC(C=4C=CC=CC4O3)=O)N(N2)C(C)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952271 |
