| SpectraBase Spectrum ID |
33fdLiI9kh9 |
| Name |
Butyric acid, 2-phenyl-, oct-3-en-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.193280075 u |
| Formula |
C18H26O2 |
| InChI |
InChI=1S/C18H26O2/c1-4-6-7-9-12-15(3)20-18(19)17(5-2)16-13-10-8-11-14-16/h8-15,17H,4-7H2,1-3H3/b12-9+ |
| InChIKey |
PRQHFUJYDIPSFX-FMIVXFBMSA-N |
| Molecular Weight |
274.404 g/mol |
| SMILES |
C(C(C(OC(\C=C\CCCC)C)=O)C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.989588 |
