SpectraBase Compound ID | 93543RJlhq3 |
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InChI | InChI=1S/C28H54O4/c1-3-5-7-9-10-11-12-15-18-22-26-32-28(30)24-20-17-14-13-16-19-23-27(29)31-25-21-8-6-4-2/h3-26H2,1-2H3 |
InChIKey | DEKWRICRIUIREU-UHFFFAOYSA-N |
Mol Weight | 454.7 g/mol |
Molecular Formula | C28H54O4 |
Exact Mass | 454.40221 g/mol |
SpectraBase Spectrum ID | 2Y6QCwBkHMK |
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Name | Sebacic acid, dodecyl hexyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 454.402210215 u |
Formula | C28H54O4 |
InChI | InChI=1S/C28H54O4/c1-3-5-7-9-10-11-12-15-18-22-26-32-28(30)24-20-17-14-13-16-19-23-27(29)31-25-21-8-6-4-2/h3-26H2,1-2H3 |
InChIKey | DEKWRICRIUIREU-UHFFFAOYSA-N |
Molecular Weight | 454.736 g/mol |
SMILES | C(CCCCCC(OCCCCCC)=O)CCC(OCCCCCCCCCCCC)=O |