| SpectraBase Spectrum ID |
4Cx9zWFdaG7 |
| Name |
2,4-Difluorobenzoic acid, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.268336723 u |
| Formula |
C23H36F2O2 |
| InChI |
InChI=1S/C23H36F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-23(26)21-17-16-20(24)19-22(21)25/h16-17,19H,2-15,18H2,1H3 |
| InChIKey |
CSUMTYMCGJBOPG-UHFFFAOYSA-N |
| Molecular Weight |
382.536 g/mol |
| SMILES |
C(CCCCCCCCCOC(C1=C(C=C(C=C1)F)F)=O)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861373 |
