SpectraBase Compound ID | 1FTI74Q3sNr |
---|---|
InChI | InChI=1S/C21H38O4/c1-3-5-7-9-10-11-13-15-19-25-21(23)17-16-20(22)24-18-14-12-8-6-4-2/h16-17H,3-15,18-19H2,1-2H3/b17-16+ |
InChIKey | JIGMKPDMGRUCSV-WUKNDPDISA-N |
Mol Weight | 354.5 g/mol |
Molecular Formula | C21H38O4 |
Exact Mass | 354.27701 g/mol |
SpectraBase Spectrum ID | 3hgN9meVk6M |
---|---|
Name | Fumaric acid, decyl heptyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 354.277009700 u |
Formula | C21H38O4 |
InChI | InChI=1S/C21H38O4/c1-3-5-7-9-10-11-13-15-19-25-21(23)17-16-20(22)24-18-14-12-8-6-4-2/h16-17H,3-15,18-19H2,1-2H3/b17-16+ |
InChIKey | JIGMKPDMGRUCSV-WUKNDPDISA-N |
Molecular Weight | 354.531 g/mol |
SMILES | C(OC(\C=C\C(OCCCCCCC)=O)=O)CCCCCCCCC |