| SpectraBase Compound ID | EmssSQ3hfJg |
|---|---|
| InChI | InChI=1S/C21H41BrO2/c1-3-5-6-7-8-9-10-11-12-14-17-20(4-2)24-21(23)18-15-13-16-19-22/h20H,3-19H2,1-2H3 |
| InChIKey | IPEJTPGPQAVUSU-UHFFFAOYSA-N |
| Mol Weight | 405.5 g/mol |
| Molecular Formula | C21H41BrO2 |
| Exact Mass | 404.228994 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BAFmGcFfG62 |
|---|---|
| Name | 6-Bromohexanoic acid, 3-pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.228993558 u |
| Formula | C21H41BrO2 |
| InChI | InChI=1S/C21H41BrO2/c1-3-5-6-7-8-9-10-11-12-14-17-20(4-2)24-21(23)18-15-13-16-19-22/h20H,3-19H2,1-2H3 |
| InChIKey | IPEJTPGPQAVUSU-UHFFFAOYSA-N |
| Molecular Weight | 405.461 g/mol |
| SMILES | C(CCCCC(=O)OC(CCCCCCCCCCCC)CC)Br |