| SpectraBase Spectrum ID |
DgnPLSAcOC7 |
| Name |
Diethylmalonic acid, tetradecyl 2,4,5-trifluorobenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
500.311344350 u |
| Formula |
C28H43F3O4 |
| InChI |
InChI=1S/C28H43F3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-34-26(32)28(5-2,6-3)27(33)35-21-22-19-24(30)25(31)20-23(22)29/h19-20H,4-18,21H2,1-3H3 |
| InChIKey |
HLIVUQBGRMVVLT-UHFFFAOYSA-N |
| Molecular Weight |
500.643 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCC)=O)(C(OCC1=C(C=C(C(=C1)F)F)F)=O)CC |
