| SpectraBase Spectrum ID |
Dx8gbxGMYDX |
| Name |
Diethylmalonic acid, octadecyl 2,4,5-trifluorobenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
556.373944607 u |
| Formula |
C32H51F3O4 |
| InChI |
InChI=1S/C32H51F3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-38-30(36)32(5-2,6-3)31(37)39-25-26-23-28(34)29(35)24-27(26)33/h23-24H,4-22,25H2,1-3H3 |
| InChIKey |
AXHOPYGNZDQCEQ-UHFFFAOYSA-N |
| Molecular Weight |
556.751 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCCCCC)=O)(C(OCC1=C(C=C(C(=C1)F)F)F)=O)CC |
