| SpectraBase Spectrum ID |
Ddwkb2zM0XJ |
| Name |
2-Chloro-5,10-dihydro-11H-dibenzo[B,E][1,4]diazepin-11-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.040340617 u |
| Formula |
C13H9ClN2O |
| InChI |
InChI=1S/C13H9ClN2O/c14-8-5-6-10-9(7-8)13(17)16-12-4-2-1-3-11(12)15-10/h1-7,15H,(H,16,17) |
| InChIKey |
DJOORGSPIHHCOG-UHFFFAOYSA-N |
| Molecular Weight |
244.681 g/mol |
| SMILES |
N1C=2C=CC=CC2NC(C2=C1C=CC(Cl)=C2)=O |
| Spectrum/Structure Validation Score (Raman) |
0.914444 |
![2-chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one](/api/spectrum/Ddwkb2zM0XJ/structure.png?h=300&w=458 "2-chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one")
