| SpectraBase Compound ID | EjP8HchZ8Ea |
|---|---|
| InChI | InChI=1S/C12H19ClO4/c1-3-16-11(14)10(12(15)17-4-2)8-6-5-7-9-13/h8H,3-7,9H2,1-2H3 |
| InChIKey | AAHFRBIGXMDPPI-UHFFFAOYSA-N |
| Mol Weight | 262.73 g/mol |
| Molecular Formula | C12H19ClO4 |
| Exact Mass | 262.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 31Xnd4lIXok |
|---|---|
| Name | 1-Chloro-6,6-bis(ethyloxycarbonyl)hex-5-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.097186788 u |
| Formula | C12H19ClO4 |
| InChI | InChI=1S/C12H19ClO4/c1-3-16-11(14)10(12(15)17-4-2)8-6-5-7-9-13/h8H,3-7,9H2,1-2H3 |
| InChIKey | AAHFRBIGXMDPPI-UHFFFAOYSA-N |
| Molecular Weight | 262.733 g/mol |
| SMILES | C(CCCC=C(C(=O)OCC)C(=O)OCC)Cl |