| SpectraBase Spectrum ID |
8TnlS3KSB6N |
| Name |
4-Acetyl-2-phenyl-9,10-dihydro-2H,9ah-2,3,4A-triazaanthracen-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.132076797 u |
| Formula |
C19H17N3O2 |
| InChI |
InChI=1S/C19H17N3O2/c1-13(23)18-20-22(16-9-3-2-4-10-16)19(24)17-11-14-7-5-6-8-15(14)12-21(17)18/h2-10,17H,11-12H2,1H3 |
| InChIKey |
OCGGZVIRWIBQGA-UHFFFAOYSA-N |
| Molecular Weight |
319.364 g/mol |
| SMILES |
C(=O)(C)C=1N2CC3=CC=CC=C3CC2C(N(N1)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95342 |
