| SpectraBase Compound ID | D2h0yPdsdV2 |
|---|---|
| InChI | InChI=1S/C13H11BrO4/c1-17-13(16)5-3-10(15)12-7-8-6-9(14)2-4-11(8)18-12/h2,4,6-7H,3,5H2,1H3 |
| InChIKey | YYYCSOINNBDGMS-UHFFFAOYSA-N |
| Mol Weight | 311.13 g/mol |
| Molecular Formula | C13H11BrO4 |
| Exact Mass | 309.984072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5FLItoMK6vA |
|---|---|
| Name | Methyl 4-(5-bromo-1-benzofuran-2-yl)-4-oxobutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.984071830 u |
| Formula | C13H11BrO4 |
| InChI | InChI=1S/C13H11BrO4/c1-17-13(16)5-3-10(15)12-7-8-6-9(14)2-4-11(8)18-12/h2,4,6-7H,3,5H2,1H3 |
| InChIKey | YYYCSOINNBDGMS-UHFFFAOYSA-N |
| Molecular Weight | 311.131 g/mol |
| SMILES | C=1(OC=2C=CC(=CC2C1)Br)C(=O)CCC(=O)OC |