| SpectraBase Compound ID | 1yezYIojE2n |
|---|---|
| InChI | InChI=1S/C15H17ClO4/c1-11(2)8-9-19-14(17)6-7-15(18)20-13-5-3-4-12(16)10-13/h3-7,10-11H,8-9H2,1-2H3/b7-6+ |
| InChIKey | PBMDALNQYYTTLJ-VOTSOKGWSA-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 | HApL27bwnGx |
|---|---|
| Name | Fumaric acid, 3-methylbutyl 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/c1-11(2)8-9-19-14(17)6-7-15(18)20-13-5-3-4-12(16)10-13/h3-7,10-11H,8-9H2,1-2H3/b7-6+ |
| InChIKey | PBMDALNQYYTTLJ-VOTSOKGWSA-N |
| Molecular Weight | 296.750 g/mol |
| SMILES | C(\C=C\C(OC1=CC(=CC=C1)Cl)=O)(OCCC(C)C)=O |