| SpectraBase Spectrum ID |
KgxaZbglLA4 |
| Name |
Hexanoic acid, (4-methoxyphenyl)methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.141244501 u |
| Formula |
C14H20O3 |
| InChI |
InChI=1S/C14H20O3/c1-3-4-5-6-14(15)17-11-12-7-9-13(16-2)10-8-12/h7-10H,3-6,11H2,1-2H3 |
| InChIKey |
IDNYDOYPAOXMOC-UHFFFAOYSA-N |
| Molecular Weight |
236.311 g/mol |
| SMILES |
COC1=CC=C(C=C1)COC(=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926881 |
