| SpectraBase Spectrum ID |
8X1bOm8QMvj |
| Name |
Diethylmalonic acid, dodecyl 4-fluoro-2-methoxyphenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
452.293802578 u |
| Formula |
C26H41FO5 |
| InChI |
InChI=1S/C26H41FO5/c1-5-8-9-10-11-12-13-14-15-16-19-31-24(28)26(6-2,7-3)25(29)32-22-18-17-21(27)20-23(22)30-4/h17-18,20H,5-16,19H2,1-4H3 |
| InChIKey |
BLLXRVMTUQFLRC-UHFFFAOYSA-N |
| Molecular Weight |
452.607 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCCCC)=O)(CC)CC)(OC1=CC=C(C=C1OC)F)=O |
