| SpectraBase Compound ID | 1dWsdOUN9jM |
|---|---|
| InChI | InChI=1S/C23H37BrO2/c1-3-5-6-7-8-9-10-11-12-13-15-22(14-4-2)26-23(25)20-16-18-21(24)19-17-20/h16-19,22H,3-15H2,1-2H3 |
| InChIKey | HUEFNNVHVDYLBT-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 | 3DxetlQp8UK |
|---|---|
| Name | 4-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/c1-3-5-6-7-8-9-10-11-12-13-15-22(14-4-2)26-23(25)20-16-18-21(24)19-17-20/h16-19,22H,3-15H2,1-2H3 |
| InChIKey | HUEFNNVHVDYLBT-UHFFFAOYSA-N |
| Molecular Weight | 425.451 g/mol |
| SMILES | C(CCCCCCCC)CCCC(CCC)OC(=O)C1=CC=C(C=C1)Br |