| SpectraBase Compound ID | 7YBeIGMYhv4 |
|---|---|
| InChI | InChI=1S/C14H14Cl2O4/c15-12(16)10-20-14(18)7-6-13(17)19-9-8-11-4-2-1-3-5-11/h1-7,12H,8-10H2/b7-6+ |
| InChIKey | MQEZQDNODIEQQF-VOTSOKGWSA-N |
| Mol Weight | 317.17 g/mol |
| Molecular Formula | C14H14Cl2O4 |
| Exact Mass | 316.026914 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 27CgKRFEEhn |
|---|---|
| Name | Fumaric acid, 2-phenethyl 2,2-dichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.026914327 u |
| Formula | C14H14Cl2O4 |
| InChI | InChI=1S/C14H14Cl2O4/c15-12(16)10-20-14(18)7-6-13(17)19-9-8-11-4-2-1-3-5-11/h1-7,12H,8-10H2/b7-6+ |
| InChIKey | MQEZQDNODIEQQF-VOTSOKGWSA-N |
| Molecular Weight | 317.168 g/mol |
| SMILES | C(\C=C\C(OCC(Cl)Cl)=O)(OCCC1=CC=CC=C1)=O |