| SpectraBase Spectrum ID |
FrS998iGLMj |
| Name |
p-Toluic acid, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.318480590 u |
| Formula |
C25H42O2 |
| InChI |
InChI=1S/C25H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25(26)24-20-18-23(2)19-21-24/h18-21H,3-17,22H2,1-2H3 |
| InChIKey |
ZIDJGOJFZLDOFC-UHFFFAOYSA-N |
| Molecular Weight |
374.609 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OCCCCCCCCCCCCCCCCC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888221 |
