| SpectraBase Spectrum ID |
1MpaL3npWNb |
| Name |
p-Toluic acid, 2-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/c1-4-5-6-7-8-9-10-11-12-13-14-20(3)24-22(23)21-17-15-19(2)16-18-21/h15-18,20H,4-14H2,1-3H3 |
| InChIKey |
MRSGQLQHPWFMEH-UHFFFAOYSA-N |
| Molecular Weight |
332.528 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OC(CCCCCCCCCCCC)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809915 |
