| SpectraBase Compound ID | Fdy57cy1rAD |
|---|---|
| InChI | InChI=1S/C16H18Cl2O4/c1-2-3-4-5-10-21-15(19)8-9-16(20)22-14-7-6-12(17)11-13(14)18/h6-9,11H,2-5,10H2,1H3/b9-8+ |
| InChIKey | JOCMGIIAWNMDHM-CMDGGOBGSA-N |
| Mol Weight | 345.22 g/mol |
| Molecular Formula | C16H18Cl2O4 |
| Exact Mass | 344.058214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A4quzHSYiMB |
|---|---|
| Name | Fumaric acid, 2,4-dichlorophenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.058214456 u |
| Formula | C16H18Cl2O4 |
| InChI | InChI=1S/C16H18Cl2O4/c1-2-3-4-5-10-21-15(19)8-9-16(20)22-14-7-6-12(17)11-13(14)18/h6-9,11H,2-5,10H2,1H3/b9-8+ |
| InChIKey | JOCMGIIAWNMDHM-CMDGGOBGSA-N |
| Molecular Weight | 345.222 g/mol |
| SMILES | C(OC1=CC=C(C=C1Cl)Cl)(\C=C\C(OCCCCCC)=O)=O |