SpectraBase Compound ID | DKj5Qeh555m |
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InChI | InChI=1S/C31H60O4/c1-5-9-11-13-15-17-18-20-22-24-26-28-35-30(33)31(7-3,8-4)29(32)34-27-25-23-21-19-16-14-12-10-6-2/h5-28H2,1-4H3 |
InChIKey | LGOMZRBWJCINHM-UHFFFAOYSA-N |
Mol Weight | 496.8 g/mol |
Molecular Formula | C31H60O4 |
Exact Mass | 496.44916 g/mol |
SpectraBase Spectrum ID | 29Bu7iA2bj2 |
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Name | Diethylmalonic acid, tridecyl undecyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 496.449160408 u |
Formula | C31H60O4 |
InChI | InChI=1S/C31H60O4/c1-5-9-11-13-15-17-18-20-22-24-26-28-35-30(33)31(7-3,8-4)29(32)34-27-25-23-21-19-16-14-12-10-6-2/h5-28H2,1-4H3 |
InChIKey | LGOMZRBWJCINHM-UHFFFAOYSA-N |
Molecular Weight | 496.817 g/mol |
SMILES | CCC(C(OCCCCCCCCCCC)=O)(C(OCCCCCCCCCCCCC)=O)CC |