| SpectraBase Compound ID | Hw38dMjpQ8y |
|---|---|
| InChI | InChI=1S/C11H9BrO2/c1-3-8(2)14-11(13)9-4-6-10(12)7-5-9/h1,4-8H,2H3 |
| InChIKey | TVVQBKBOFMPSIR-UHFFFAOYSA-N |
| Mol Weight | 253.09 g/mol |
| Molecular Formula | C11H9BrO2 |
| Exact Mass | 251.978593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HnmfF1Pmb2V |
|---|---|
| Name | 4-Bromobenzoic acid, but-3-yn-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.978592528 u |
| Formula | C11H9BrO2 |
| InChI | InChI=1S/C11H9BrO2/c1-3-8(2)14-11(13)9-4-6-10(12)7-5-9/h1,4-8H,2H3 |
| InChIKey | TVVQBKBOFMPSIR-UHFFFAOYSA-N |
| Molecular Weight | 253.095 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OC(C#C)C)=O)Br |