SpectraBase Compound ID | Iqg1XykY2nz |
---|---|
InChI | InChI=1S/C21H40O4/c1-6-9-10-11-12-13-14-15-16-24-19(22)21(7-2,8-3)20(23)25-17-18(4)5/h18H,6-17H2,1-5H3 |
InChIKey | KTQYKAVKMAXDLQ-UHFFFAOYSA-N |
Mol Weight | 356.5 g/mol |
Molecular Formula | C21H40O4 |
Exact Mass | 356.29266 g/mol |
SpectraBase Spectrum ID | HXn6G5Iyk5q |
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Name | Diethylmalonic acid, decyl isobutyl 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/c1-6-9-10-11-12-13-14-15-16-24-19(22)21(7-2,8-3)20(23)25-17-18(4)5/h18H,6-17H2,1-5H3 |
InChIKey | KTQYKAVKMAXDLQ-UHFFFAOYSA-N |
Molecular Weight | 356.547 g/mol |
SMILES | CCC(C(OCCCCCCCCCC)=O)(C(OCC(C)C)=O)CC |