| SpectraBase Spectrum ID |
GoIZYZxDt4p |
| Name |
Diethylmalonic acid, heptadecyl pentafluorobenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
578.339450804 u |
| Formula |
C31H47F5O4 |
| InChI |
InChI=1S/C31H47F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-39-29(37)31(5-2,6-3)30(38)40-22-23-24(32)26(34)28(36)27(35)25(23)33/h4-22H2,1-3H3 |
| InChIKey |
SKZPOKCVJORIBX-UHFFFAOYSA-N |
| Molecular Weight |
578.705 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCCCC)=O)(C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC |
