| SpectraBase Spectrum ID |
BWz1PQ1LOrF |
| Name |
Penta-2,4-dienoic acid, 3-methyl-5-phenyl-, (octahydroquinolizin-1-yl)methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.219829176 u |
| Formula |
C22H29NO2 |
| InChI |
InChI=1S/C22H29NO2/c1-18(12-13-19-8-3-2-4-9-19)16-22(24)25-17-20-10-7-15-23-14-6-5-11-21(20)23/h2-4,8-9,12-13,16,20-21H,5-7,10-11,14-15,17H2,1H3/b13-12+,18-16+ |
| InChIKey |
LFSIDNBLRSULJS-SMSZEUIGSA-N |
| Molecular Weight |
339.479 g/mol |
| SMILES |
C1=CC=C(C=C1)\C=C\C(=C\C(OCC1C2N(CCC1)CCCC2)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832012 |
