SpectraBase Compound ID | LULRyfGItmP |
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InChI | InChI=1S/C27H52O4/c1-6-11-12-13-14-15-16-17-18-19-20-21-22-30-25(28)27(9-4,10-5)26(29)31-23-24(7-2)8-3/h24H,6-23H2,1-5H3 |
InChIKey | BDHPUCNDTCDFJG-UHFFFAOYSA-N |
Mol Weight | 440.7 g/mol |
Molecular Formula | C27H52O4 |
Exact Mass | 440.38656 g/mol |
SpectraBase Spectrum ID | 7fesaTUG59p |
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Name | Diethylmalonic acid, 2-ethylbutyl tetradecyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 440.386560150 u |
Formula | C27H52O4 |
InChI | InChI=1S/C27H52O4/c1-6-11-12-13-14-15-16-17-18-19-20-21-22-30-25(28)27(9-4,10-5)26(29)31-23-24(7-2)8-3/h24H,6-23H2,1-5H3 |
InChIKey | BDHPUCNDTCDFJG-UHFFFAOYSA-N |
Molecular Weight | 440.709 g/mol |
SMILES | CCC(C(OCCCCCCCCCCCCCC)=O)(C(OCC(CC)CC)=O)CC |