| SpectraBase Compound ID | 7qoA50b0AtR |
|---|---|
| InChI | InChI=1S/C16H12Cl2O4/c17-14(18)10-21-15(19)8-9-16(20)22-13-7-3-5-11-4-1-2-6-12(11)13/h1-9,14H,10H2/b9-8+ |
| InChIKey | FJKJSQYRSRXTKJ-CMDGGOBGSA-N |
| Mol Weight | 339.17 g/mol |
| Molecular Formula | C16H12Cl2O4 |
| Exact Mass | 338.011264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4svtcmlA3RD |
|---|---|
| Name | Fumaric acid, naphth-1-yl 2,2-dichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.011264262 u |
| Formula | C16H12Cl2O4 |
| InChI | InChI=1S/C16H12Cl2O4/c17-14(18)10-21-15(19)8-9-16(20)22-13-7-3-5-11-4-1-2-6-12(11)13/h1-9,14H,10H2/b9-8+ |
| InChIKey | FJKJSQYRSRXTKJ-CMDGGOBGSA-N |
| Molecular Weight | 339.174 g/mol |
| SMILES | C(\C=C\C(OCC(Cl)Cl)=O)(OC1=CC=CC2=C1C=CC=C2)=O |