SpectraBase Compound ID | HkNUdDv3gpb |
---|---|
InChI | InChI=1S/C22H42O4/c1-5-13-20(14-6-2)18-26-22(24)16-12-10-8-7-9-11-15-21(23)25-17-19(3)4/h19-20H,5-18H2,1-4H3 |
InChIKey | LNZGAHXFWZGWFI-UHFFFAOYSA-N |
Mol Weight | 370.6 g/mol |
Molecular Formula | C22H42O4 |
Exact Mass | 370.30831 g/mol |
SpectraBase Spectrum ID | JeAR2r55lox |
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Name | Sebacic acid, isobutyl 2-propylpentyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 370.308309828 u |
Formula | C22H42O4 |
InChI | InChI=1S/C22H42O4/c1-5-13-20(14-6-2)18-26-22(24)16-12-10-8-7-9-11-15-21(23)25-17-19(3)4/h19-20H,5-18H2,1-4H3 |
InChIKey | LNZGAHXFWZGWFI-UHFFFAOYSA-N |
Molecular Weight | 370.574 g/mol |
SMILES | C(CCCCCCCC(OCC(CCC)CCC)=O)C(OCC(C)C)=O |