| SpectraBase Compound ID | BLzXlRqD1kk |
|---|---|
| InChI | InChI=1S/C15H17ClO4/c1-10(2)11(3)19-14(17)8-9-15(18)20-13-6-4-12(16)5-7-13/h4-11H,1-3H3/b9-8+ |
| InChIKey | MNNQONZPGLFYBU-CMDGGOBGSA-N |
| Mol Weight | 296.75 g/mol |
| Molecular Formula | C15H17ClO4 |
| Exact Mass | 296.081537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4MTmDo8b3TT |
|---|---|
| Name | Fumaric acid, 4-chlorophenyl 3-methylbut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.081536723 u |
| Formula | C15H17ClO4 |
| InChI | InChI=1S/C15H17ClO4/c1-10(2)11(3)19-14(17)8-9-15(18)20-13-6-4-12(16)5-7-13/h4-11H,1-3H3/b9-8+ |
| InChIKey | MNNQONZPGLFYBU-CMDGGOBGSA-N |
| SMILES | C(\C=C\C(OC(C(C)C)C)=O)(OC1=CC=C(C=C1)Cl)=O |