| SpectraBase Spectrum ID |
LJpWQokZUWl |
| Name |
p-Toluic acid, 2-ethylhexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.177630011 u |
| Formula |
C16H24O2 |
| InChI |
InChI=1S/C16H24O2/c1-4-6-7-14(5-2)12-18-16(17)15-10-8-13(3)9-11-15/h8-11,14H,4-7,12H2,1-3H3 |
| InChIKey |
TWNIZMMQPHBJLJ-UHFFFAOYSA-N |
| Molecular Weight |
248.366 g/mol |
| SMILES |
C(OC(C1=CC=C(C=C1)C)=O)C(CCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843877 |
