| SpectraBase Spectrum ID |
A3TKMIJVoY5 |
| Name |
Phenol, 2-(3,7-dimethyl-2,6-octadienyl)-3-methoxy-5-(2-phenylethyl)-, (E)-, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.250794952 u |
| Formula |
C27H34O3 |
| InChI |
InChI=1S/C27H34O3/c1-20(2)10-9-11-21(3)14-17-25-26(29-5)18-24(19-27(25)30-22(4)28)16-15-23-12-7-6-8-13-23/h6-8,10,12-14,18-19H,9,11,15-17H2,1-5H3/b21-14+ |
| InChIKey |
ONYXAIAXDJPYBH-KGENOOAVSA-N |
| Molecular Weight |
406.566 g/mol |
| SMILES |
C(C1=CC(OC)=C(C\C=C\(CCC=C(C)C)C)C(OC(=O)C)=C1)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825496 |
