| SpectraBase Spectrum ID |
Em7LVd6taYP |
| Name |
2,4-Difluorobenzoic acid, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.205736466 u |
| Formula |
C19H28F2O2 |
| InChI |
InChI=1S/C19H28F2O2/c1-2-3-4-5-6-7-8-9-10-11-14-23-19(22)17-13-12-16(20)15-18(17)21/h12-13,15H,2-11,14H2,1H3 |
| InChIKey |
SKDMKNWXDKDUEW-UHFFFAOYSA-N |
| Molecular Weight |
326.428 g/mol |
| SMILES |
C(CCCCCCCCCOC(C1=C(C=C(C=C1)F)F)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.808235 |
