SpectraBase Compound ID | 6blyWRrjnxe |
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InChI | InChI=1S/C21H40O4/c1-5-7-9-11-12-14-16-18-25-20(23)21(3,4)19(22)24-17-15-13-10-8-6-2/h5-18H2,1-4H3 |
InChIKey | IUSWVICQWUHOSN-UHFFFAOYSA-N |
Mol Weight | 356.5 g/mol |
Molecular Formula | C21H40O4 |
Exact Mass | 356.29266 g/mol |
SpectraBase Spectrum ID | 2KtqECJhiJS |
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Name | Dimethylmalonic acid, heptyl nonyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 356.292659764 u |
Formula | C21H40O4 |
InChI | InChI=1S/C21H40O4/c1-5-7-9-11-12-14-16-18-25-20(23)21(3,4)19(22)24-17-15-13-10-8-6-2/h5-18H2,1-4H3 |
InChIKey | IUSWVICQWUHOSN-UHFFFAOYSA-N |
Molecular Weight | 356.547 g/mol |
SMILES | CCCCCCCOC(C(C(=O)OCCCCCCCCC)(C)C)=O |