SpectraBase Compound ID | 4wG35k55jN7 |
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InChI | InChI=1S/C22H42O4/c1-4-7-9-10-11-12-13-14-15-16-18-25-21(23)19-22(24)26-20(6-3)17-8-5-2/h20H,4-19H2,1-3H3 |
InChIKey | MDTQJSFJNVLHKV-UHFFFAOYSA-N |
Mol Weight | 370.6 g/mol |
Molecular Formula | C22H42O4 |
Exact Mass | 370.30831 g/mol |
SpectraBase Spectrum ID | FnA1LudkWe2 |
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Name | Malonic acid, dodecyl 3-heptyl 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/c1-4-7-9-10-11-12-13-14-15-16-18-25-21(23)19-22(24)26-20(6-3)17-8-5-2/h20H,4-19H2,1-3H3 |
InChIKey | MDTQJSFJNVLHKV-UHFFFAOYSA-N |
Molecular Weight | 370.574 g/mol |
SMILES | C(OC(CC)CCCC)(CC(OCCCCCCCCCCCC)=O)=O |