| SpectraBase Compound ID | 8Ji2KFKNRWz |
|---|---|
| InChI | InChI=1S/C17H21BrO4/c1-4-21-16(19)15(17(20)22-5-2)14(11-12(3)18)13-9-7-6-8-10-13/h6-10,14-15H,3-5,11H2,1-2H3 |
| InChIKey | XXBVEKCCVPUJGT-UHFFFAOYSA-N |
| Mol Weight | 369.26 g/mol |
| Molecular Formula | C17H21BrO4 |
| Exact Mass | 368.062322 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1noR55UlYx1 |
|---|---|
| Name | Diethyl 2-(3-bromo-1-phenylbut-3-en-1-yl)malonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.062322152 u |
| Formula | C17H21BrO4 |
| InChI | InChI=1S/C17H21BrO4/c1-4-21-16(19)15(17(20)22-5-2)14(11-12(3)18)13-9-7-6-8-10-13/h6-10,14-15H,3-5,11H2,1-2H3 |
| InChIKey | XXBVEKCCVPUJGT-UHFFFAOYSA-N |
| Molecular Weight | 369.255 g/mol |
| SMILES | C(CC(C1=CC=CC=C1)C(C(OCC)=O)C(OCC)=O)(Br)=C |