| SpectraBase Spectrum ID |
K5Ll1VNixx4 |
| Name |
2,6-Difluorobenzoic acid, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.299636852 u |
| Formula |
C25H40F2O2 |
| InChI |
InChI=1S/C25H40F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-29-25(28)24-22(26)19-18-20-23(24)27/h18-20H,2-17,21H2,1H3 |
| InChIKey |
XOWVGUWZAIOVHI-UHFFFAOYSA-N |
| Molecular Weight |
410.590 g/mol |
| SMILES |
C(=O)(OCCCCCCCCCCCCCCCCCC)C=1C(F)=CC=CC1F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821137 |
