| SpectraBase Compound ID | 77DPtzb7ZN7 |
|---|---|
| InChI | InChI=1S/C17H23BrO2/c1-2-20-17(19)10-8-6-4-3-5-7-9-15-11-13-16(18)14-12-15/h7,9,11-14H,2-6,8,10H2,1H3/b9-7- |
| InChIKey | QVNWEPMQUZVMDK-CLFYSBASSA-N |
| Mol Weight | 339.27 g/mol |
| Molecular Formula | C17H23BrO2 |
| Exact Mass | 338.088143 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Aa9wcqQZK09 |
|---|---|
| Name | 9-(4-Bromophenyl)-8-nonenoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.088142979 u |
| Formula | C17H23BrO2 |
| InChI | InChI=1S/C17H23BrO2/c1-2-20-17(19)10-8-6-4-3-5-7-9-15-11-13-16(18)14-12-15/h7,9,11-14H,2-6,8,10H2,1H3/b9-7- |
| InChIKey | QVNWEPMQUZVMDK-CLFYSBASSA-N |
| Molecular Weight | 339.273 g/mol |
| SMILES | C(=O)(OCC)CCCCCC\C=C/C1=CC=C(C=C1)Br |