| SpectraBase Spectrum ID |
81AGCbl8V2k |
| Name |
N-4-Methylphenyl-N-[1-(1-phenylpropan-2-yl)piperidin-4-yl]-pent-4-enamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.267113722 u |
| Formula |
C26H34N2O |
| InChI |
InChI=1S/C26H34N2O/c1-4-5-11-26(29)28(24-14-12-21(2)13-15-24)25-16-18-27(19-17-25)22(3)20-23-9-7-6-8-10-23/h4,6-10,12-15,22,25H,1,5,11,16-20H2,2-3H3 |
| InChIKey |
ADLXXBCTFXCQKN-UHFFFAOYSA-N |
| Molecular Weight |
390.571 g/mol |
| SMILES |
C1(N(C2=CC=C(C=C2)C)C(CCC=C)=O)CCN(C(CC=2C=CC=CC2)C)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846808 |