| SpectraBase Compound ID | 3zmddYlmngW |
|---|---|
| InChI | InChI=1S/C7H7BrO2/c1-2-7(9)10-6-4-3-5-8/h1,3-4H,5-6H2/b4-3+ |
| InChIKey | UGWLGCSCIVCPSM-ONEGZZNKSA-N |
| Mol Weight | 203.03 g/mol |
| Molecular Formula | C7H7BrO2 |
| Exact Mass | 201.962942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BHvSNq2pkBb |
|---|---|
| Name | 4'-Bromo-2'(E)-butenyl 2-propynoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.962942463 u |
| Formula | C7H7BrO2 |
| InChI | InChI=1S/C7H7BrO2/c1-2-7(9)10-6-4-3-5-8/h1,3-4H,5-6H2/b4-3+ |
| InChIKey | UGWLGCSCIVCPSM-ONEGZZNKSA-N |
| Molecular Weight | 203.035 g/mol |
| SMILES | C(#C)C(=O)OC\C=C\CBr |