| SpectraBase Spectrum ID |
Kmke5ght0Wr |
| Name |
6-Butyl-2,3-dicyano-5-{4-[bis(2-methoxyethyl)amino]styryl}-7-methyl-6H-1,4-diazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.263425321 u |
| Formula |
C26H33N5O2 |
| InChI |
InChI=1S/C26H33N5O2/c1-5-6-7-23-20(2)29-25(18-27)26(19-28)30-24(23)13-10-21-8-11-22(12-9-21)31(14-16-32-3)15-17-33-4/h8-13,23H,5-7,14-17H2,1-4H3/b13-10+ |
| InChIKey |
PEMASEHDALJSAT-JLHYYAGUSA-N |
| Molecular Weight |
447.583 g/mol |
| SMILES |
C=1(N=C(C(C(=NC1C#N)C)CCCC)\C=C\C1=CC=C(C=C1)N(CCOC)CCOC)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832264 |
![6-Butyl-2,3-dicyano-5-{4-[bis(2-methoxyethyl)amino]styryl}-7-methyl-6H-1,4-diazepine](/api/spectrum/Kmke5ght0Wr/structure.png?h=300&w=458 "6-Butyl-2,3-dicyano-5-{4-[bis(2-methoxyethyl)amino]styryl}-7-methyl-6H-1,4-diazepine")
