| SpectraBase Compound ID | 61NAB2S2O2v |
|---|---|
| InChI | InChI=1S/C11H21BrO2/c1-3-7-10(2)14-11(13)8-5-4-6-9-12/h10H,3-9H2,1-2H3 |
| InChIKey | AQXCTGAWNSAWHM-UHFFFAOYSA-N |
| Mol Weight | 265.19 g/mol |
| Molecular Formula | C11H21BrO2 |
| Exact Mass | 264.072493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GQVrkcxWX40 |
|---|---|
| Name | 6-Bromohexanoic acid, 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.072492914 u |
| Formula | C11H21BrO2 |
| InChI | InChI=1S/C11H21BrO2/c1-3-7-10(2)14-11(13)8-5-4-6-9-12/h10H,3-9H2,1-2H3 |
| InChIKey | AQXCTGAWNSAWHM-UHFFFAOYSA-N |
| SMILES | C(Br)CCCCC(OC(CCC)C)=O |