| SpectraBase Spectrum ID |
35Mwn4HaA0t |
| Name |
p-Anisic 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 |
262.156894565 u |
| Formula |
C16H22O3 |
| InChI |
InChI=1S/C16H22O3/c1-4-5-6-7-8-13(2)19-16(17)14-9-11-15(18-3)12-10-14/h7-13H,4-6H2,1-3H3/b8-7+ |
| InChIKey |
NWEOELGGVACLOI-BQYQJAHWSA-N |
| Molecular Weight |
262.349 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OC(\C=C\CCCC)C)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963321 |
