| SpectraBase Spectrum ID |
BmEkTO8LoAu |
| Name |
2,4-Pentadienoic acid, 5-phenyl-2-[2-(2,6,6-trimethyl-1-cyclohexen-1-yl)ethenyl]-, methyl ester, (E,E,E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.208930140 u |
| Formula |
C23H28O2 |
| InChI |
InChI=1S/C23H28O2/c1-18-10-9-17-23(2,3)21(18)16-15-20(22(24)25-4)14-8-13-19-11-6-5-7-12-19/h5-8,11-16H,9-10,17H2,1-4H3/b13-8+,16-15+,20-14+ |
| InChIKey |
IULUSQHYQFKBGX-CGMORBKNSA-N |
| Molecular Weight |
336.475 g/mol |
| SMILES |
C1(\C=C\C(C(=O)OC)=C/C=C/C2=CC=CC=C2)=C(CCCC1(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973788 |
![2,4-Pentadienoic acid, 5-phenyl-2-[2-(2,6,6-trimethyl-1-cyclohexen-1-yl)ethenyl]-, methyl ester, (E,E,E)-](/api/spectrum/BmEkTO8LoAu/structure.png?h=300&w=458 "2,4-Pentadienoic acid, 5-phenyl-2-[2-(2,6,6-trimethyl-1-cyclohexen-1-yl)ethenyl]-, methyl ester, (E,E,E)-")
