| SpectraBase Spectrum ID |
Euj5B8bwWk3 |
| Name |
2-Amino-4-(4-chlorophenyl)-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 |
509.223390361 u |
| Formula |
C32H32ClN3O |
| InChI |
InChI=1S/C32H32ClN3O/c1-21-6-12-24(13-7-21)32(25-14-8-22(2)9-15-25)27(20-34)30(35)28(31(37)36-18-4-3-5-19-36)29(32)23-10-16-26(33)17-11-23/h6-17,28-29H,3-5,18-19,35H2,1-2H3 |
| InChIKey |
XZYIQVMQFPILCQ-UHFFFAOYSA-N |
| Molecular Weight |
510.081 g/mol |
| SMILES |
C=1(C(C(C2=CC=C(C=C2)Cl)C(C1N)C(N1CCCCC1)=O)(C=1C=CC(=CC1)C)C1=CC=C(C=C1)C)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837497 |
