| SpectraBase Compound ID | 6XvUPU0hyjr |
|---|---|
| InChI | InChI=1S/C16H19ClO4/c1-3-20-15(18)10-7-13(16(19)21-4-2)11-12-5-8-14(17)9-6-12/h5-6,8-9,11H,3-4,7,10H2,1-2H3/b13-11- |
| InChIKey | RDFPZFNHVGIZDZ-QBFSEMIESA-N |
| Mol Weight | 310.78 g/mol |
| Molecular Formula | C16H19ClO4 |
| Exact Mass | 310.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FjxsdlZXFIS |
|---|---|
| Name | Diethyl 2-(4-chlorobenzylidene)pentanedioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.097186788 u |
| Formula | C16H19ClO4 |
| InChI | InChI=1S/C16H19ClO4/c1-3-20-15(18)10-7-13(16(19)21-4-2)11-12-5-8-14(17)9-6-12/h5-6,8-9,11H,3-4,7,10H2,1-2H3/b13-11- |
| InChIKey | RDFPZFNHVGIZDZ-QBFSEMIESA-N |
| Molecular Weight | 310.777 g/mol |
| SMILES | C(\C(=C/C1=CC=C(C=C1)Cl)CCC(=O)OCC)(=O)OCC |