| SpectraBase Compound ID | Boofpr1QrEa |
|---|---|
| InChI | InChI=1S/C15H17ClO4/c1-11(2)9-19-14(17)7-8-15(18)20-10-12-3-5-13(16)6-4-12/h3-8,11H,9-10H2,1-2H3/b8-7+ |
| InChIKey | DVBXPJYBOBXSIA-BQYQJAHWSA-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 | U18mQftD3m |
|---|---|
| Name | Fumaric acid, 4-chlorobenzyl isobutyl 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)9-19-14(17)7-8-15(18)20-10-12-3-5-13(16)6-4-12/h3-8,11H,9-10H2,1-2H3/b8-7+ |
| InChIKey | DVBXPJYBOBXSIA-BQYQJAHWSA-N |
| Molecular Weight | 296.750 g/mol |
| SMILES | C(\C=C\C(OCC1=CC=C(C=C1)Cl)=O)(OCC(C)C)=O |