| SpectraBase Compound ID | 9YnZ38d7nVj |
|---|---|
| InChI | InChI=1S/C11H17BrO2/c1-3-7-10(4-2)14-11(13)8-5-6-9-12/h10H,4-6,8-9H2,1-2H3 |
| InChIKey | LELREPSXQGXCNR-UHFFFAOYSA-N |
| Mol Weight | 261.16 g/mol |
| Molecular Formula | C11H17BrO2 |
| Exact Mass | 260.041193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DPXPZE33mNa |
|---|---|
| Name | 5-Bromovaleric acid, hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.041192785 u |
| Formula | C11H17BrO2 |
| InChI | InChI=1S/C11H17BrO2/c1-3-7-10(4-2)14-11(13)8-5-6-9-12/h10H,4-6,8-9H2,1-2H3 |
| InChIKey | LELREPSXQGXCNR-UHFFFAOYSA-N |
| Molecular Weight | 261.159 g/mol |
| SMILES | C(=O)(OC(C#CC)CC)CCCCBr |