| SpectraBase Compound ID | GkO7nzFNiHO |
|---|---|
| InChI | InChI=1S/C15H17ClO4/c1-2-3-4-10-19-14(17)8-9-15(18)20-13-7-5-6-12(16)11-13/h5-9,11H,2-4,10H2,1H3/b9-8+ |
| InChIKey | NPGKEHTWIQHGNI-CMDGGOBGSA-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 | B9YuM137B0H |
|---|---|
| Name | Fumaric acid, 3-chlorophenyl pentyl 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/c1-2-3-4-10-19-14(17)8-9-15(18)20-13-7-5-6-12(16)11-13/h5-9,11H,2-4,10H2,1H3/b9-8+ |
| InChIKey | NPGKEHTWIQHGNI-CMDGGOBGSA-N |
| Molecular Weight | 296.750 g/mol |
| SMILES | C(\C=C\C(OCCCCC)=O)(OC1=CC=CC(=C1)Cl)=O |