| SpectraBase Spectrum ID |
KovvuNfTa8H |
| Name |
(2E,4E,6E)-5-Methyl-7-(2,6,6-trimethyl-cyclohex-1-enyl)-hepta-2,4,6-trienoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.240230268 u |
| Formula |
C21H32O2 |
| InChI |
InChI=1S/C21H32O2/c1-6-23-20(22)13-9-7-8-11-17(2)14-15-19-18(3)12-10-16-21(19,4)5/h7-8,11,14-15H,6,9-10,12-13,16H2,1-5H3/b8-7+,15-14+,17-11+ |
| InChIKey |
RXZLCMZWDQKCPZ-FAHMDGIUSA-N |
| Molecular Weight |
316.485 g/mol |
| SMILES |
C1(\C=C\C(=C\C=C\CCC(=O)OCC)C)=C(CCCC1(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811271 |
