| SpectraBase Compound ID | Lcs1KDiAvK5 |
|---|---|
| InChI | InChI=1S/C15H17ClO4/c1-2-3-6-11-19-14(17)9-10-15(18)20-13-8-5-4-7-12(13)16/h4-5,7-10H,2-3,6,11H2,1H3/b10-9+ |
| InChIKey | BAIWDJUNZRNMIZ-MDZDMXLPSA-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 | 4UzSQrFM6Wy |
|---|---|
| Name | Fumaric acid, 2-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/c1-2-3-6-11-19-14(17)9-10-15(18)20-13-8-5-4-7-12(13)16/h4-5,7-10H,2-3,6,11H2,1H3/b10-9+ |
| InChIKey | BAIWDJUNZRNMIZ-MDZDMXLPSA-N |
| Molecular Weight | 296.750 g/mol |
| SMILES | C(\C=C\C(OC1=C(C=CC=C1)Cl)=O)(OCCCCC)=O |