| SpectraBase Compound ID | GxAIAszmYRk |
|---|---|
| InChI | InChI=1S/C17H25BrO2/c18-16(14-15-10-6-5-7-11-15)12-8-3-1-2-4-9-13-17(19)20/h5-7,10-11,16H,1-4,8-9,12-14H2,(H,19,20) |
| InChIKey | BLQXFERFJOMUOJ-UHFFFAOYSA-N |
| Mol Weight | 341.29 g/mol |
| Molecular Formula | C17H25BrO2 |
| Exact Mass | 340.103793 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5m3W1NpsBT6 |
|---|---|
| Name | 10-Bromo-11-phenylundecanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.103793043 u |
| Formula | C17H25BrO2 |
| InChI | InChI=1S/C17H25BrO2/c18-16(14-15-10-6-5-7-11-15)12-8-3-1-2-4-9-13-17(19)20/h5-7,10-11,16H,1-4,8-9,12-14H2,(H,19,20) |
| InChIKey | BLQXFERFJOMUOJ-UHFFFAOYSA-N |
| Molecular Weight | 341.289 g/mol |
| SMILES | C1=C(C=CC=C1)CC(Br)CCCCCCCCC(O)=O |