SpectraBase Compound ID | IfzGShiGlK3 |
---|---|
InChI | InChI=1S/C24H46O4/c1-4-7-9-10-11-12-13-16-20-27-23(25)18-14-15-19-24(26)28-21-22(6-3)17-8-5-2/h22H,4-21H2,1-3H3 |
InChIKey | NVWVQMGKDQXQMR-UHFFFAOYSA-N |
Mol Weight | 398.6 g/mol |
Molecular Formula | C24H46O4 |
Exact Mass | 398.33961 g/mol |
SpectraBase Spectrum ID | FoYL5CCdFng |
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Name | Adipic acid, decyl 2-ethylhexyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 398.339609957 u |
Formula | C24H46O4 |
InChI | InChI=1S/C24H46O4/c1-4-7-9-10-11-12-13-16-20-27-23(25)18-14-15-19-24(26)28-21-22(6-3)17-8-5-2/h22H,4-21H2,1-3H3 |
InChIKey | NVWVQMGKDQXQMR-UHFFFAOYSA-N |
Molecular Weight | 398.628 g/mol |
SMILES | C(C(=O)OCC(CCCC)CC)CCCC(OCCCCCCCCCC)=O |