| SpectraBase Compound ID | 2Pr2TTRJzi7 |
|---|---|
| InChI | InChI=1S/C14H15ClO4/c1-2-3-10-18-13(16)8-9-14(17)19-12-7-5-4-6-11(12)15/h4-9H,2-3,10H2,1H3/b9-8+ |
| InChIKey | CQCBYDUIUIYCQY-CMDGGOBGSA-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 | FLy4JTEf4jW |
|---|---|
| Name | Fumaric acid, butyl 2-chlorophenyl 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/c1-2-3-10-18-13(16)8-9-14(17)19-12-7-5-4-6-11(12)15/h4-9H,2-3,10H2,1H3/b9-8+ |
| InChIKey | CQCBYDUIUIYCQY-CMDGGOBGSA-N |
| SMILES | C(\C=C\C(OC1=C(C=CC=C1)Cl)=O)(OCCCC)=O |