| SpectraBase Spectrum ID |
BszVpqvN62A |
| Name |
2,5-Difluorobenzoic acid, heptadecyl 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-24(27)22-20-21(25)17-18-23(22)26/h17-18,20H,2-16,19H2,1H3 |
| InChIKey |
UANGZHVCHSVWEP-UHFFFAOYSA-N |
| Molecular Weight |
396.563 g/mol |
| SMILES |
C(CCCCCCCCCOC(C1=C(C=CC(=C1)F)F)=O)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852467 |
