| SpectraBase Spectrum ID |
9WiFXtimArV |
| Name |
m-Toluic acid, 2-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/c1-4-5-6-7-8-9-10-11-12-13-14-17-21(3)25-23(24)22-18-15-16-20(2)19-22/h15-16,18-19,21H,4-14,17H2,1-3H3 |
| InChIKey |
GGBSIQYFHXYVBV-UHFFFAOYSA-N |
| Molecular Weight |
346.555 g/mol |
| SMILES |
C1=C(C=C(C=C1)C(OC(CCCCCCCCCCCCC)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822686 |
