| SpectraBase Spectrum ID |
wYsiGnzJXY |
| Name |
o-Toluic acid, 5-pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.287180462 u |
| Formula |
C23H38O2 |
| InChI |
InChI=1S/C23H38O2/c1-4-6-8-9-10-11-12-13-18-21(17-7-5-2)25-23(24)22-19-15-14-16-20(22)3/h14-16,19,21H,4-13,17-18H2,1-3H3 |
| InChIKey |
WWWHVAQHCFFKEB-UHFFFAOYSA-N |
| Molecular Weight |
346.555 g/mol |
| SMILES |
C1=CC=C(C(=C1)C)C(OC(CCCCCCCCCC)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876157 |
