| SpectraBase Spectrum ID |
CfcKDTbvv09 |
| Name |
3-[1-Phenyl-meth-(E)-ylidene]-1,3,4,5-tetrahydro-benzo[B][1,4]diazepin-2-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/c19-16-13(10-12-6-2-1-3-7-12)11-17-14-8-4-5-9-15(14)18-16/h1-10,17H,11H2,(H,18,19)/b13-10+ |
| InChIKey |
HSOXWQPUXXPCSR-JLHYYAGUSA-N |
| Molecular Weight |
250.301 g/mol |
| SMILES |
C1(\C(CNC2=CC=CC=C2N1)=C\C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972064 |
![3-[1-Phenyl-meth-(E)-ylidene]-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-one](/api/spectrum/CfcKDTbvv09/structure.png?h=300&w=458 "3-[1-Phenyl-meth-(E)-ylidene]-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-one")
