| SpectraBase Compound ID | JGOIFqAwJxZ |
|---|---|
| InChI | InChI=1S/C7H11BrO2/c1-6(5-8)3-4-10-7(2)9/h3H,4-5H2,1-2H3/b6-3+ |
| InChIKey | KUGZCVGTOJHJEU-ZZXKWVIFSA-N |
| Mol Weight | 207.07 g/mol |
| Molecular Formula | C7H11BrO2 |
| Exact Mass | 205.994243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HEcV7ZQOlgg |
|---|---|
| Name | 4-Bromo-3-methyl-2-buten-1-yl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.994242592 u |
| Formula | C7H11BrO2 |
| InChI | InChI=1S/C7H11BrO2/c1-6(5-8)3-4-10-7(2)9/h3H,4-5H2,1-2H3/b6-3+ |
| InChIKey | KUGZCVGTOJHJEU-ZZXKWVIFSA-N |
| Molecular Weight | 207.067 g/mol |
| SMILES | C\C(CBr)=C/COC(=O)C |