| SpectraBase Spectrum ID |
N1fL1EY3qX |
| Name |
1-Chloro-7,8,9,10-tetrahydrobenzo[E]pyrido[1,2-A]-(1,4)-diazepine-6,12-(5H,6ah)-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.066555365 u |
| Formula |
C13H13ClN2O2 |
| InChI |
InChI=1S/C13H13ClN2O2/c14-8-4-3-5-9-11(8)13(18)16-7-2-1-6-10(16)12(17)15-9/h3-5,10H,1-2,6-7H2,(H,15,17) |
| InChIKey |
IZZAQDUNOQZFIM-UHFFFAOYSA-N |
| SMILES |
C1(N2C(C(=O)NC=3C1=C(Cl)C=CC3)CCCC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973456 |
![1-Chloro-7,8,9,10-tetrahydrobenzo[e]pyrido[1,2-a]-(1,4)-diazepine-6,12-(5H,6aH)-dione](/api/spectrum/N1fL1EY3qX/structure.png?h=300&w=458 "1-Chloro-7,8,9,10-tetrahydrobenzo[e]pyrido[1,2-a]-(1,4)-diazepine-6,12-(5H,6aH)-dione")
