| SpectraBase Compound ID | KPgp22d0eeP |
|---|---|
| InChI | InChI=1S/C9H11ClO3/c1-3-4-7(2)13-9(12)6-5-8(10)11/h3,5-7H,1,4H2,2H3/b6-5+ |
| InChIKey | WBAFEBVXXKAFFY-AATRIKPKSA-N |
| Mol Weight | 202.64 g/mol |
| Molecular Formula | C9H11ClO3 |
| Exact Mass | 202.039672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GVocHT5CWnI |
|---|---|
| Name | Fumaric acid, monochloride, pent-4-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.039671911 u |
| Formula | C9H11ClO3 |
| InChI | InChI=1S/C9H11ClO3/c1-3-4-7(2)13-9(12)6-5-8(10)11/h3,5-7H,1,4H2,2H3/b6-5+ |
| InChIKey | WBAFEBVXXKAFFY-AATRIKPKSA-N |
| Molecular Weight | 202.637 g/mol |
| SMILES | C=CCC(OC(\C=C\C(Cl)=O)=O)C |