| SpectraBase Spectrum ID |
Lg5bkwx3h62 |
| Name |
2,6-Difluoro-3-methylbenzoic acid, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.283986788 u |
| Formula |
C24H38F2O2 |
| InChI |
InChI=1S/C24H38F2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-24(27)22-21(25)18-17-20(2)23(22)26/h17-18H,3-16,19H2,1-2H3 |
| InChIKey |
JDAQLVSRLALOEM-UHFFFAOYSA-N |
| Molecular Weight |
396.563 g/mol |
| SMILES |
C(CCCCCCCCCOC(C1=C(C(=CC=C1F)C)F)=O)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820728 |
