| SpectraBase Spectrum ID |
COMP77wXhru |
| Name |
1-Methyl-4-phenylbenz[B]diazepin-7-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.110613078 u |
| Formula |
C16H14N2O |
| InChI |
InChI=1S/C16H14N2O/c1-17-9-7-14(13-5-3-2-4-6-13)11-15-12-16(19)8-10-18(15)17/h2-12H,1H3 |
| InChIKey |
AAKWYLCJIHHAQY-UHFFFAOYSA-N |
| Molecular Weight |
250.301 g/mol |
| SMILES |
C=12N(N(C=CC(=C2)C2=CC=CC=C2)C)C=CC(C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938189 |
![1-Methyl-4-phenylbenz[b]diazepin-7-one](/api/spectrum/COMP77wXhru/structure.png?h=300&w=458 "1-Methyl-4-phenylbenz[b]diazepin-7-one")
