| SpectraBase Compound ID | BCheOAUZR2e |
|---|---|
| InChI | InChI=1S/C15H15ClO4/c1-11(2)9-10-19-14(17)7-8-15(18)20-13-6-4-3-5-12(13)16/h3-9H,10H2,1-2H3/b8-7+ |
| InChIKey | QQFACAHRIJYMLK-BQYQJAHWSA-N |
| Mol Weight | 294.73 g/mol |
| Molecular Formula | C15H15ClO4 |
| Exact Mass | 294.065887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3GQKuIevn99 |
|---|---|
| Name | Fumaric acid, 2-chlorophenyl 3-methylbut-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.065886659 u |
| Formula | C15H15ClO4 |
| InChI | InChI=1S/C15H15ClO4/c1-11(2)9-10-19-14(17)7-8-15(18)20-13-6-4-3-5-12(13)16/h3-9H,10H2,1-2H3/b8-7+ |
| InChIKey | QQFACAHRIJYMLK-BQYQJAHWSA-N |
| Molecular Weight | 294.734 g/mol |
| SMILES | C(\C=C\C(OCC=C(C)C)=O)(OC1=C(C=CC=C1)Cl)=O |