| SpectraBase Compound ID | ASVbewk2mli |
|---|---|
| InChI | InChI=1S/C15H14Cl2O4/c1-10(2)7-8-20-14(18)5-6-15(19)21-13-4-3-11(16)9-12(13)17/h3-7,9H,8H2,1-2H3/b6-5+ |
| InChIKey | FVXYZDHFPOCYNB-AATRIKPKSA-N |
| Mol Weight | 329.18 g/mol |
| Molecular Formula | C15H14Cl2O4 |
| Exact Mass | 328.026914 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J5XUBXOW2z8 |
|---|---|
| Name | Fumaric acid, 2,4-dichlorophenyl 3-methylbut-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.026914327 u |
| Formula | C15H14Cl2O4 |
| InChI | InChI=1S/C15H14Cl2O4/c1-10(2)7-8-20-14(18)5-6-15(19)21-13-4-3-11(16)9-12(13)17/h3-7,9H,8H2,1-2H3/b6-5+ |
| InChIKey | FVXYZDHFPOCYNB-AATRIKPKSA-N |
| Molecular Weight | 329.179 g/mol |
| SMILES | C(\C=C\C(OCC=C(C)C)=O)(OC1=C(C=C(C=C1)Cl)Cl)=O |