| SpectraBase Spectrum ID |
1cFh6qhlZln |
| Name |
4-Methylbenzoic acid, 4-methoxy-2-methylbutyl 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/c1-11-4-6-13(7-5-11)14(15)17-10-12(2)8-9-16-3/h4-7,12H,8-10H2,1-3H3 |
| InChIKey |
IDYDUCZUJWZQFI-UHFFFAOYSA-N |
| Molecular Weight |
236.311 g/mol |
| SMILES |
C1(=CC=C(C=C1)C)C(=O)OCC(CCOC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932097 |
