| SpectraBase Compound ID | I5kX2zVn3pH |
|---|---|
| InChI | InChI=1S/C15H17ClO4/c1-3-5-11(2)19-14(17)8-9-15(18)20-13-7-4-6-12(16)10-13/h4,6-11H,3,5H2,1-2H3/b9-8+ |
| InChIKey | SONYUNSAQBEEAY-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 | 40rpVAi9pkJ |
|---|---|
| Name | Fumaric acid, 2-pentyl 3-chlorophenyl 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/c1-3-5-11(2)19-14(17)8-9-15(18)20-13-7-4-6-12(16)10-13/h4,6-11H,3,5H2,1-2H3/b9-8+ |
| InChIKey | SONYUNSAQBEEAY-CMDGGOBGSA-N |
| Molecular Weight | 296.750 g/mol |
| SMILES | C(\C=C\C(OC1=CC(=CC=C1)Cl)=O)(OC(CCC)C)=O |