| SpectraBase Spectrum ID |
2YLbJxV31IB |
| Name |
3H-1,4-Benzodiazepine, 2,7-dimethoxy-5-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.121177761 u |
| Formula |
C17H16N2O2 |
| InChI |
InChI=1S/C17H16N2O2/c1-20-13-8-9-15-14(10-13)17(12-6-4-3-5-7-12)18-11-16(19-15)21-2/h3-10H,11H2,1-2H3 |
| InChIKey |
SBXRVPPXWZWUJK-UHFFFAOYSA-N |
| SMILES |
C=12C(=NCC(=NC2=CC=C(C1)OC)OC)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915124 |
