| SpectraBase Spectrum ID |
HEEQXDEJP61 |
| Name |
m-Toluic acid, 3-tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.271530397 u |
| Formula |
C22H36O2 |
| InChI |
InChI=1S/C22H36O2/c1-4-6-7-8-9-10-11-12-13-17-21(5-2)24-22(23)20-16-14-15-19(3)18-20/h14-16,18,21H,4-13,17H2,1-3H3 |
| InChIKey |
YCOLFDPBRJKCRL-UHFFFAOYSA-N |
| Molecular Weight |
332.528 g/mol |
| SMILES |
C1=C(C=C(C=C1)C(OC(CCCCCCCCCCC)CC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821822 |
