| SpectraBase Spectrum ID |
8J9dtfmOSUS |
| Name |
2,4-Difluorobenzoic acid, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.252686659 u |
| Formula |
C22H34F2O2 |
| InChI |
InChI=1S/C22H34F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-26-22(25)20-16-15-19(23)18-21(20)24/h15-16,18H,2-14,17H2,1H3 |
| InChIKey |
QFCRFAIKXFTWEK-UHFFFAOYSA-N |
| Molecular Weight |
368.509 g/mol |
| SMILES |
C(CCCCCCCCCOC(C1=C(C=C(C=C1)F)F)=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.803739 |
