| SpectraBase Compound ID | DcJ5Oqy3oov |
|---|---|
| InChI | InChI=1S/C16H23BrO2/c1-2-3-4-5-6-7-8-13-19-16(18)14-9-11-15(17)12-10-14/h9-12H,2-8,13H2,1H3 |
| InChIKey | FDJJIGNMQVCAAN-UHFFFAOYSA-N |
| Mol Weight | 327.26 g/mol |
| Molecular Formula | C16H23BrO2 |
| Exact Mass | 326.088143 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3rt5TtIrUi5 |
|---|---|
| Name | 4-Bromobenzoic acid, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.088142979 u |
| Formula | C16H23BrO2 |
| InChI | InChI=1S/C16H23BrO2/c1-2-3-4-5-6-7-8-13-19-16(18)14-9-11-15(17)12-10-14/h9-12H,2-8,13H2,1H3 |
| InChIKey | FDJJIGNMQVCAAN-UHFFFAOYSA-N |
| Molecular Weight | 327.262 g/mol |
| SMILES | C(COC(=O)C1=CC=C(C=C1)Br)CCCCCCC |