SpectraBase Compound ID | 3jolOVEhmLP |
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InChI | InChI=1S/C22H39ClO4/c1-2-3-4-5-11-14-19-26-21(24)16-17-22(25)27-20-15-12-9-7-6-8-10-13-18-23/h16-17H,2-15,18-20H2,1H3/b17-16+ |
InChIKey | LCSYCOIHYYRUDF-WUKNDPDISA-N |
Mol Weight | 403.0 g/mol |
Molecular Formula | C22H39ClO4 |
Exact Mass | 402.253687 g/mol |
SpectraBase Spectrum ID | EZBxhWVvQfJ |
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Name | Fumaric acid, 10-chlorodecyl octyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 402.253687432 u |
Formula | C22H39ClO4 |
InChI | InChI=1S/C22H39ClO4/c1-2-3-4-5-11-14-19-26-21(24)16-17-22(25)27-20-15-12-9-7-6-8-10-13-18-23/h16-17H,2-15,18-20H2,1H3/b17-16+ |
InChIKey | LCSYCOIHYYRUDF-WUKNDPDISA-N |
Molecular Weight | 403.003 g/mol |
SMILES | C(OCCCCCCCCCCCl)(\C=C\C(OCCCCCCCC)=O)=O |