| SpectraBase Compound ID | AJ2O7GvoFcN |
|---|---|
| InChI | InChI=1S/C11H17ClO4/c1-2-3-4-8-15-10(13)5-6-11(14)16-9-7-12/h5-6H,2-4,7-9H2,1H3/b6-5+ |
| InChIKey | KJRXIVFTNUPQCL-AATRIKPKSA-N |
| Mol Weight | 248.71 g/mol |
| Molecular Formula | C11H17ClO4 |
| Exact Mass | 248.081537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FYfzx5IDvLA |
|---|---|
| Name | Fumaric acid, 2-chloroethyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.081536723 u |
| Formula | C11H17ClO4 |
| InChI | InChI=1S/C11H17ClO4/c1-2-3-4-8-15-10(13)5-6-11(14)16-9-7-12/h5-6H,2-4,7-9H2,1H3/b6-5+ |
| InChIKey | KJRXIVFTNUPQCL-AATRIKPKSA-N |
| Molecular Weight | 248.706 g/mol |
| SMILES | C(\C=C\C(OCCCCC)=O)(OCCCl)=O |