| SpectraBase Compound ID | 7EivrXUBMff |
|---|---|
| InChI | InChI=1S/C14H23ClO4/c1-3-4-5-6-7-10-18-13(16)8-9-14(17)19-11-12(2)15/h8-9,12H,3-7,10-11H2,1-2H3/b9-8+ |
| InChIKey | KFSJHJRXOISCGF-CMDGGOBGSA-N |
| Mol Weight | 290.79 g/mol |
| Molecular Formula | C14H23ClO4 |
| Exact Mass | 290.128487 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GJUl2nTkLUz |
|---|---|
| Name | Fumaric acid, 2-chloropropyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.128486917 u |
| Formula | C14H23ClO4 |
| InChI | InChI=1S/C14H23ClO4/c1-3-4-5-6-7-10-18-13(16)8-9-14(17)19-11-12(2)15/h8-9,12H,3-7,10-11H2,1-2H3/b9-8+ |
| InChIKey | KFSJHJRXOISCGF-CMDGGOBGSA-N |
| SMILES | C(OCC(C)Cl)(\C=C\C(OCCCCCCC)=O)=O |