SpectraBase Compound ID | H4AZdshyZdS |
---|---|
InChI | InChI=1S/C22H42O4/c1-3-5-7-12-16-20-26-22(24)18-14-11-9-8-10-13-17-21(23)25-19-15-6-4-2/h3-20H2,1-2H3 |
InChIKey | UFFLGXDDHOFUNJ-UHFFFAOYSA-N |
Mol Weight | 370.6 g/mol |
Molecular Formula | C22H42O4 |
Exact Mass | 370.30831 g/mol |
SpectraBase Spectrum ID | IkKrvEeI6AO |
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Name | Sebacic acid, heptyl pentyl 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/c1-3-5-7-12-16-20-26-22(24)18-14-11-9-8-10-13-17-21(23)25-19-15-6-4-2/h3-20H2,1-2H3 |
InChIKey | UFFLGXDDHOFUNJ-UHFFFAOYSA-N |
Molecular Weight | 370.574 g/mol |
SMILES | C(CCCCCC(OCCCCCCC)=O)CCC(OCCCCC)=O |