| SpectraBase Spectrum ID |
AeSHWaiQky1 |
| Name |
2-Propenamide, 3-(cyclohexylthio)-N,N-diethyl-2-methyl-3-phenyl-, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.196985731 u |
| Formula |
C20H29NOS |
| InChI |
InChI=1S/C20H29NOS/c1-4-21(5-2)20(22)16(3)19(17-12-8-6-9-13-17)23-18-14-10-7-11-15-18/h6,8-9,12-13,18H,4-5,7,10-11,14-15H2,1-3H3/b19-16- |
| InChIKey |
UWZJRJRXYMUHHA-MNDPQUGUSA-N |
| Molecular Weight |
331.518 g/mol |
| SMILES |
C1(S\C(=C/(C(N(CC)CC)=O)C)C2=CC=CC=C2)CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926227 |
