| SpectraBase Spectrum ID |
9zMy4OXs8y9 |
| Name |
5-Phenyl-4,4-di[p-tolyl]-2-amino-3-cyanocyclopent-2-ene-1-(N,N-diethyl)carbamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
463.262362694 u |
| Formula |
C31H33N3O |
| InChI |
InChI=1S/C31H33N3O/c1-5-34(6-2)30(35)27-28(23-10-8-7-9-11-23)31(26(20-32)29(27)33,24-16-12-21(3)13-17-24)25-18-14-22(4)15-19-25/h7-19,27-28H,5-6,33H2,1-4H3 |
| InChIKey |
NPIQNWNEQMHSQI-UHFFFAOYSA-N |
| Molecular Weight |
463.625 g/mol |
| SMILES |
C=1(C(C(C=2C=CC=CC2)C(C1N)C(N(CC)CC)=O)(C1=CC=C(C=C1)C)C1=CC=C(C=C1)C)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87575 |
![5-Phenyl-4,4-di[p-tolyl]-2-amino-3-cyanocyclopent-2-ene-1-(N,N-diethyl)carbamide](/api/spectrum/9zMy4OXs8y9/structure.png?h=300&w=458 "5-Phenyl-4,4-di[p-tolyl]-2-amino-3-cyanocyclopent-2-ene-1-(N,N-diethyl)carbamide")
