| SpectraBase Spectrum ID |
8iKweHMZPHl |
| Name |
3-Hexen-2-one, 6-(6-acetonyl-5-hydroxy-1,4-dimethyl-5-phenyl-2-piperidyl)-, stereoisomer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.230393859 u |
| Formula |
C22H31NO3 |
| InChI |
InChI=1S/C22H31NO3/c1-16-14-20(13-9-8-10-17(2)24)23(4)21(15-18(3)25)22(16,26)19-11-6-5-7-12-19/h5-8,10-12,16,20-21,26H,9,13-15H2,1-4H3/b10-8+ |
| InChIKey |
LZXLHNQQWFSKAT-CSKARUKUSA-N |
| Molecular Weight |
357.494 g/mol |
| SMILES |
C1=CC(=CC=C1)C1(C(CC(N(C1CC(C)=O)C)CC\C=C\C(=O)C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89861 |
