SpectraBase Spectrum ID |
8ae7wXoEiU0 |
Name |
5,10-Dihydro-7,8-dimethyl-11H-dibenzo[B,E][1,4]diazepin-11ONE |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
238.110613078 u |
Formula |
C15H14N2O |
InChI |
InChI=1S/C15H14N2O/c1-9-7-13-14(8-10(9)2)17-15(18)11-5-3-4-6-12(11)16-13/h3-8,16H,1-2H3,(H,17,18) |
InChIKey |
CKBAPBVFFYOAMD-UHFFFAOYSA-N |
Molecular Weight |
238.290 g/mol |
SMILES |
N1C=2C=C(C(=CC2NC(C=2C=CC=CC12)=O)C)C |
Spectrum/Structure Validation Score (Raman) |
0.751852 |