| SpectraBase Spectrum ID |
GFWQeYMmNmk |
| Name |
4-Butylbenzoic acid, 2-methoxyethyl 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/c1-3-4-5-12-6-8-13(9-7-12)14(15)17-11-10-16-2/h6-9H,3-5,10-11H2,1-2H3 |
| InChIKey |
UCDABESDDFRTSQ-UHFFFAOYSA-N |
| Molecular Weight |
236.311 g/mol |
| SMILES |
C(C1=CC=C(C=C1)CCCC)(OCCOC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953902 |
