| SpectraBase Compound ID | KyjwmgSDw2n |
|---|---|
| InChI | InChI=1S/C19H24Cl2O4/c20-13-5-3-1-2-4-6-14-24-18(22)11-12-19(23)25-15-16-7-9-17(21)10-8-16/h7-12H,1-6,13-15H2/b12-11+ |
| InChIKey | WLZOZVSIJSRHTN-VAWYXSNFSA-N |
| Mol Weight | 387.3 g/mol |
| Molecular Formula | C19H24Cl2O4 |
| Exact Mass | 386.105165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GM3ViZ7za8e |
|---|---|
| Name | Fumaric acid, 4-chlorobenzyl 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.105164649 u |
| Formula | C19H24Cl2O4 |
| InChI | InChI=1S/C19H24Cl2O4/c20-13-5-3-1-2-4-6-14-24-18(22)11-12-19(23)25-15-16-7-9-17(21)10-8-16/h7-12H,1-6,13-15H2/b12-11+ |
| InChIKey | WLZOZVSIJSRHTN-VAWYXSNFSA-N |
| Molecular Weight | 387.303 g/mol |
| SMILES | C(\C=C\C(OCCCCCCCCCl)=O)(OCC1=CC=C(C=C1)Cl)=O |