| SpectraBase Compound ID | 70zcs90yPjI |
|---|---|
| InChI | InChI=1S/C14H15ClO4/c1-10(2)9-18-13(16)7-8-14(17)19-12-5-3-11(15)4-6-12/h3-8,10H,9H2,1-2H3/b8-7+ |
| InChIKey | NYWJSFOIFBZCFH-BQYQJAHWSA-N |
| Mol Weight | 282.72 g/mol |
| Molecular Formula | C14H15ClO4 |
| Exact Mass | 282.065887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9vRCftaEL7H |
|---|---|
| Name | Fumaric acid, 4-chlorophenyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.065886659 u |
| Formula | C14H15ClO4 |
| InChI | InChI=1S/C14H15ClO4/c1-10(2)9-18-13(16)7-8-14(17)19-12-5-3-11(15)4-6-12/h3-8,10H,9H2,1-2H3/b8-7+ |
| InChIKey | NYWJSFOIFBZCFH-BQYQJAHWSA-N |
| SMILES | C(\C=C\C(OC1=CC=C(C=C1)Cl)=O)(OCC(C)C)=O |