| SpectraBase Spectrum ID |
9QkS93iyQ82 |
| Name |
Phenacyl oleiate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.297745145 u |
| Formula |
C26H40O3 |
| InChI |
InChI=1S/C26H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(28)29-23-25(27)24-20-17-16-18-21-24/h9-10,16-18,20-21H,2-8,11-15,19,22-23H2,1H3/b10-9- |
| InChIKey |
YJDYLKBQHAXVOQ-KTKRTIGZSA-N |
| Molecular Weight |
400.603 g/mol |
| SMILES |
C(COC(=O)CCCCCCC\C=C/CCCCCCCC)(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963854 |
