| SpectraBase Compound ID | 5XK3IrNuwTy |
|---|---|
| InChI | InChI=1S/C14H17BrO4/c1-4-9-14(10-7-8-11-15,12(16)18-5-2)13(17)19-6-3/h1H,5-6,9-11H2,2-3H3 |
| InChIKey | YAPNXCBQWJFYCQ-UHFFFAOYSA-N |
| Mol Weight | 329.19 g/mol |
| Molecular Formula | C14H17BrO4 |
| Exact Mass | 328.031022 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9P9J4dItPAv |
|---|---|
| Name | Diethyl 4-bromobut-2-ynyl propargylmalonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.031022023 u |
| Formula | C14H17BrO4 |
| InChI | InChI=1S/C14H17BrO4/c1-4-9-14(10-7-8-11-15,12(16)18-5-2)13(17)19-6-3/h1H,5-6,9-11H2,2-3H3 |
| InChIKey | YAPNXCBQWJFYCQ-UHFFFAOYSA-N |
| Molecular Weight | 329.190 g/mol |
| SMILES | C(C(=O)OCC)(C(=O)OCC)(CC#CCBr)CC#C |