| SpectraBase Spectrum ID |
LJc7owSRlvG |
| Name |
5-(6,11-Dioxo-6,11-dihydro-5H-dibenzo[B,E]azepin-5-yl)pentanenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.121177761 u |
| Formula |
C19H16N2O2 |
| InChI |
InChI=1S/C19H16N2O2/c20-12-6-1-7-13-21-17-11-5-4-10-16(17)18(22)14-8-2-3-9-15(14)19(21)23/h2-5,8-11H,1,6-7,13H2 |
| InChIKey |
PQKZKAIJYAZGJP-UHFFFAOYSA-N |
| Molecular Weight |
304.349 g/mol |
| SMILES |
C(CCCCN1C=2C(C(C=3C(C1=O)=CC=CC3)=O)=CC=CC2)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822004 |
![5-(6,11-dioxo-6,11-dihydro-5H-dibenzo[b,e]azepin-5-yl)pentanenitrile](/api/spectrum/LJc7owSRlvG/structure.png?h=300&w=458 "5-(6,11-dioxo-6,11-dihydro-5H-dibenzo[b,e]azepin-5-yl)pentanenitrile")
