| SpectraBase Spectrum ID |
DksxiAHHaHg |
| Name |
p-Toluic 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 |
276.208930140 u |
| Formula |
C18H28O2 |
| InChI |
InChI=1S/C18H28O2/c1-5-15(6-2)10-13-17(7-3)20-18(19)16-11-8-14(4)9-12-16/h8-9,11-12,15,17H,5-7,10,13H2,1-4H3 |
| InChIKey |
AQDJUZJZBUXKJY-UHFFFAOYSA-N |
| Molecular Weight |
276.420 g/mol |
| SMILES |
C(OC(C1=CC=C(C=C1)C)=O)(CC)CCC(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857523 |
