| SpectraBase Spectrum ID |
EVrUdBrwMfG |
| Name |
Diethylmalonic acid, hexyl pentafluorobenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.167300096 u |
| Formula |
C20H25F5O4 |
| InChI |
InChI=1S/C20H25F5O4/c1-4-7-8-9-10-28-18(26)20(5-2,6-3)19(27)29-11-12-13(21)15(23)17(25)16(24)14(12)22/h4-11H2,1-3H3 |
| InChIKey |
BQHHLPYRNGAUGX-UHFFFAOYSA-N |
| Molecular Weight |
424.408 g/mol |
| SMILES |
CCC(C(OCCCCCC)=O)(C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC |
