| SpectraBase Compound ID | Au03gBF6Y41 |
|---|---|
| InChI | InChI=1S/C10H15BrO2/c1-3-9(2)13-10(12)7-5-4-6-8-11/h1,9H,4-8H2,2H3 |
| InChIKey | XLDQEPUOOPFDOQ-UHFFFAOYSA-N |
| Mol Weight | 247.13 g/mol |
| Molecular Formula | C10H15BrO2 |
| Exact Mass | 246.025543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | sJuewHH5eK |
|---|---|
| Name | 6-Bromohexanoic 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 | 246.025542721 u |
| Formula | C10H15BrO2 |
| InChI | InChI=1S/C10H15BrO2/c1-3-9(2)13-10(12)7-5-4-6-8-11/h1,9H,4-8H2,2H3 |
| InChIKey | XLDQEPUOOPFDOQ-UHFFFAOYSA-N |
| Molecular Weight | 247.132 g/mol |
| SMILES | C(CCCCC(OC(C#C)C)=O)Br |