| SpectraBase Compound ID | GfpYnjC09RI |
|---|---|
| InChI | InChI=1S/C18H22Cl2O4/c19-13-5-3-1-2-4-6-14-23-17(21)11-12-18(22)24-16-9-7-15(20)8-10-16/h7-12H,1-6,13-14H2/b12-11+ |
| InChIKey | KOKFVOREEYHZOP-VAWYXSNFSA-N |
| Mol Weight | 373.28 g/mol |
| Molecular Formula | C18H22Cl2O4 |
| Exact Mass | 372.089515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BTgOkbM0gVt |
|---|---|
| Name | Fumaric acid, 4-chlorophenyl 8-chlorooctyl 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/c19-13-5-3-1-2-4-6-14-23-17(21)11-12-18(22)24-16-9-7-15(20)8-10-16/h7-12H,1-6,13-14H2/b12-11+ |
| InChIKey | KOKFVOREEYHZOP-VAWYXSNFSA-N |
| Molecular Weight | 373.276 g/mol |
| SMILES | C(\C=C\C(OCCCCCCCCCl)=O)(OC1=CC=C(C=C1)Cl)=O |