| SpectraBase Spectrum ID |
AhAhMrbzg07 |
| Name |
4-{2'-[4''-Cyano-1''-(p-methoxyphenyl)pyrrolidin-3''-ylidene]hydrazinyl}-1-(p'-methoxyphenyl)-2,5-dihydro-1H-pyrrole-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.196074035 u |
| Formula |
C24H24N6O2 |
| InChI |
InChI=1S/C24H24N6O2/c1-31-21-7-3-19(4-8-21)29-13-17(11-25)23(15-29)27-28-24-16-30(14-18(24)12-26)20-5-9-22(32-2)10-6-20/h3-10,17,28H,13-16H2,1-2H3/b27-23+ |
| InChIKey |
IFBQJLDJIGESRX-SLEBQGDGSA-N |
| Molecular Weight |
428.496 g/mol |
| SMILES |
C1(=C(CN(C1)C=1C=CC(=CC1)OC)N\N=C\1C(CN(C1)C=1C=CC(=CC1)OC)C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822107 |
![4-{2'-[4"-Cyano-1"-(p-methoxyphenyl)pyrrolidin-3"-ylidene]hydrazinyl}-1-(p'-methoxyphenyl)-2,5-dihydro-1H-pyrrole-3-carbonitrile](/api/spectrum/AhAhMrbzg07/structure.png?h=300&w=458 "4-{2'-[4\"-Cyano-1\"-(p-methoxyphenyl)pyrrolidin-3\"-ylidene]hydrazinyl}-1-(p'-methoxyphenyl)-2,5-dihydro-1H-pyrrole-3-carbonitrile")
