SpectraBase Compound ID | IHsOeypDDbL |
---|---|
InChI | InChI=1S/C18H22Cl2O4/c1-3-4-5-6-8-13(2)23-16(21)11-12-17(22)24-15-10-7-9-14(19)18(15)20/h7,9-13H,3-6,8H2,1-2H3/b12-11+ |
InChIKey | BOPSOZYKDHLOCW-VAWYXSNFSA-N |
Mol Weight | 373.28 g/mol |
Molecular Formula | C18H22Cl2O4 |
Exact Mass | 372.089515 g/mol |
SpectraBase Spectrum ID | FiD3n0GHR5u |
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Name | Fumaric acid, 2-octyl 2,3-dichlorophenyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 372.089514584 u |
Formula | C18H22Cl2O4 |
InChI | InChI=1S/C18H22Cl2O4/c1-3-4-5-6-8-13(2)23-16(21)11-12-17(22)24-15-10-7-9-14(19)18(15)20/h7,9-13H,3-6,8H2,1-2H3/b12-11+ |
InChIKey | BOPSOZYKDHLOCW-VAWYXSNFSA-N |
Molecular Weight | 373.276 g/mol |
SMILES | C(\C=C\C(OC1=C(C(=CC=C1)Cl)Cl)=O)(OC(CCCCCC)C)=O |