| SpectraBase Compound ID | 6PXA8mB0PtR |
|---|---|
| InChI | InChI=1S/C14H21BrO4/c1-5-8-9-14(10-11(4)15,12(16)18-6-2)13(17)19-7-3/h5H,1,4,6-10H2,2-3H3 |
| InChIKey | QIIOCYIIOPQABJ-UHFFFAOYSA-N |
| Mol Weight | 333.22 g/mol |
| Molecular Formula | C14H21BrO4 |
| Exact Mass | 332.062322 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4XscWdyCKJc |
|---|---|
| Name | 2-(2-Bromoallyl)-2-but-3-enyl-malonic acid diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.062322152 u |
| Formula | C14H21BrO4 |
| InChI | InChI=1S/C14H21BrO4/c1-5-8-9-14(10-11(4)15,12(16)18-6-2)13(17)19-7-3/h5H,1,4,6-10H2,2-3H3 |
| InChIKey | QIIOCYIIOPQABJ-UHFFFAOYSA-N |
| Molecular Weight | 333.222 g/mol |
| SMILES | C(C(=O)OCC)(C(=O)OCC)(CC(=C)Br)CCC=C |