| SpectraBase Spectrum ID |
JwYqXj8eAN0 |
| Name |
m-Methoxybenzoic acid, hexyl 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/c1-3-4-5-6-10-17-14(15)12-8-7-9-13(11-12)16-2/h7-9,11H,3-6,10H2,1-2H3 |
| InChIKey |
ROTBPRMBAFUZES-UHFFFAOYSA-N |
| Molecular Weight |
236.311 g/mol |
| SMILES |
C(=O)(OCCCCCC)C=1C=C(OC)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952319 |
