| SpectraBase Spectrum ID |
2YggKg7Z0si |
| Name |
Phenylacetic acid, 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 |
246.161979946 u |
| Formula |
C16H22O2 |
| InChI |
InChI=1S/C16H22O2/c1-3-4-5-7-10-14(2)18-16(17)13-15-11-8-6-9-12-15/h6-12,14H,3-5,13H2,1-2H3/b10-7+ |
| InChIKey |
SHXMLJPUXCFKKS-JXMROGBWSA-N |
| Molecular Weight |
246.350 g/mol |
| SMILES |
C(=O)(OC(\C=C\CCCC)C)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986851 |
