| SpectraBase Compound ID | wPYcsIMuO7 |
|---|---|
| InChI | InChI=1S/C10H17BrO2/c1-9(2)6-8-13-10(12)5-3-4-7-11/h6H,3-5,7-8H2,1-2H3 |
| InChIKey | KMNWYBWUEWICRT-UHFFFAOYSA-N |
| Mol Weight | 249.15 g/mol |
| Molecular Formula | C10H17BrO2 |
| Exact Mass | 248.041193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3piJ60ACgKU |
|---|---|
| Name | 5-Bromovaleric acid, 3-methylbut-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.041192785 u |
| Formula | C10H17BrO2 |
| InChI | InChI=1S/C10H17BrO2/c1-9(2)6-8-13-10(12)5-3-4-7-11/h6H,3-5,7-8H2,1-2H3 |
| InChIKey | KMNWYBWUEWICRT-UHFFFAOYSA-N |
| Molecular Weight | 249.148 g/mol |
| SMILES | C(=O)(OCC=C(C)C)CCCCBr |