| SpectraBase Spectrum ID |
4W5XCVsR5Oe |
| Name |
3H-1,3,4-Benzotriazepin-2-one, 1,2-dihydro-3-methyl-5-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.105862050 u |
| Formula |
C15H13N3O |
| InChI |
InChI=1S/C15H13N3O/c1-18-15(19)16-13-10-6-5-9-12(13)14(17-18)11-7-3-2-4-8-11/h2-10H,1H3,(H,16,19) |
| InChIKey |
HKQLHZWEILNYDP-UHFFFAOYSA-N |
| Molecular Weight |
251.289 g/mol |
| SMILES |
C1=CC=C2C(=C1)C(=NN(C(N2)=O)C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920102 |
