| SpectraBase Spectrum ID |
I4WyXW0vFrI |
| Name |
4-Methoxybenzoic acid, 6-ethyl-3-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.203844759 u |
| Formula |
C18H28O3 |
| InChI |
InChI=1S/C18H28O3/c1-5-14(6-2)8-11-16(7-3)21-18(19)15-9-12-17(20-4)13-10-15/h9-10,12-14,16H,5-8,11H2,1-4H3 |
| InChIKey |
ONVOSLVLWQLZCP-UHFFFAOYSA-N |
| Molecular Weight |
292.419 g/mol |
| SMILES |
C(OC(C1=CC=C(C=C1)OC)=O)(CCC(CC)CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829017 |
