| SpectraBase Spectrum ID |
5XIWJY5qaPa |
| Name |
Diethylmalonic acid, eicosyl pentafluorophenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
606.370750933 u |
| Formula |
C33H51F5O4 |
| InChI |
InChI=1S/C33H51F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-41-31(39)33(5-2,6-3)32(40)42-30-28(37)26(35)25(34)27(36)29(30)38/h4-24H2,1-3H3 |
| InChIKey |
XXJWKBXWRZDMKE-UHFFFAOYSA-N |
| Molecular Weight |
606.759 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCCCCCCC)=O)(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC |
