SpectraBase Compound ID | ARWwRa40eZN |
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InChI | InChI=1S/C28H54O4/c1-5-7-9-11-13-14-15-16-17-18-19-21-23-25-32-27(30)28(3,4)26(29)31-24-22-20-12-10-8-6-2/h5-25H2,1-4H3 |
InChIKey | PJMXAZJWDDXHGK-UHFFFAOYSA-N |
Mol Weight | 454.7 g/mol |
Molecular Formula | C28H54O4 |
Exact Mass | 454.40221 g/mol |
SpectraBase Spectrum ID | 9nUHOQ2Cp5d |
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Name | Dimethylmalonic acid, octyl pentadecyl 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/c1-5-7-9-11-13-14-15-16-17-18-19-21-23-25-32-27(30)28(3,4)26(29)31-24-22-20-12-10-8-6-2/h5-25H2,1-4H3 |
InChIKey | PJMXAZJWDDXHGK-UHFFFAOYSA-N |
Molecular Weight | 454.736 g/mol |
SMILES | CCCCCCCCCCCCCCCOC(C(C(=O)OCCCCCCCC)(C)C)=O |