| SpectraBase Compound ID | KQNijgAbbny |
|---|---|
| InChI | InChI=1S/C23H37BrO2/c1-3-5-6-7-8-9-10-11-12-13-18-22(15-4-2)26-23(25)20-16-14-17-21(24)19-20/h14,16-17,19,22H,3-13,15,18H2,1-2H3 |
| InChIKey | WUAWPHJOODYLLX-UHFFFAOYSA-N |
| Mol Weight | 425.5 g/mol |
| Molecular Formula | C23H37BrO2 |
| Exact Mass | 424.197693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LmKNhT9TtWo |
|---|---|
| Name | 3-Bromobenzoic acid, 4-hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.197693429 u |
| Formula | C23H37BrO2 |
| InChI | InChI=1S/C23H37BrO2/c1-3-5-6-7-8-9-10-11-12-13-18-22(15-4-2)26-23(25)20-16-14-17-21(24)19-20/h14,16-17,19,22H,3-13,15,18H2,1-2H3 |
| InChIKey | WUAWPHJOODYLLX-UHFFFAOYSA-N |
| Molecular Weight | 425.451 g/mol |
| SMILES | C(CCCCCCCC)CCCC(CCC)OC(=O)C1=CC=CC(=C1)Br |