| SpectraBase Compound ID | HWG1v0Anl6k |
|---|---|
| InChI | InChI=1S/C16H17ClO4/c1-12(2)9-10-20-15(18)7-8-16(19)21-11-13-3-5-14(17)6-4-13/h3-9H,10-11H2,1-2H3/b8-7+ |
| InChIKey | PEKUSRMEMWLCTM-BQYQJAHWSA-N |
| Mol Weight | 308.76 g/mol |
| Molecular Formula | C16H17ClO4 |
| Exact Mass | 308.081537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5H8k9cOH2yQ |
|---|---|
| Name | Fumaric acid, 4-chlorobenzyl 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 | 308.081536723 u |
| Formula | C16H17ClO4 |
| InChI | InChI=1S/C16H17ClO4/c1-12(2)9-10-20-15(18)7-8-16(19)21-11-13-3-5-14(17)6-4-13/h3-9H,10-11H2,1-2H3/b8-7+ |
| InChIKey | PEKUSRMEMWLCTM-BQYQJAHWSA-N |
| SMILES | C(\C=C\C(OCC=C(C)C)=O)(OCC1=CC=C(C=C1)Cl)=O |