| SpectraBase Spectrum ID |
LN7jUXAP4mr |
| Name |
2-Amino-4-phenyl-3-(piperidine-1-carbonyl)-5,5-bis(p-tolyl)cyclopentene-1-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
475.262362694 u |
| Formula |
C32H33N3O |
| InChI |
InChI=1S/C32H33N3O/c1-22-11-15-25(16-12-22)32(26-17-13-23(2)14-18-26)27(21-33)30(34)28(29(32)24-9-5-3-6-10-24)31(36)35-19-7-4-8-20-35/h3,5-6,9-18,28-29H,4,7-8,19-20,34H2,1-2H3 |
| InChIKey |
LVCGRQJKVNYZKT-UHFFFAOYSA-N |
| Molecular Weight |
475.636 g/mol |
| SMILES |
C=1(C(C(C=2C=CC=CC2)C(C1N)C(N1CCCCC1)=O)(C1=CC=C(C=C1)C)C=1C=CC(=CC1)C)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937593 |
