| SpectraBase Compound ID | 6rf6oqmaaEm |
|---|---|
| InChI | InChI=1S/C20H38BrNO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)19-22-20(2,3)17-23-19/h18H,4-17H2,1-3H3 |
| InChIKey | KLAXAVFBMYYIGM-UHFFFAOYSA-N |
| Mol Weight | 388.4 g/mol |
| Molecular Formula | C20H38BrNO |
| Exact Mass | 387.213678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H09WiIPwBZ |
|---|---|
| Name | 2-Bromo-hexadecanoic acid, dmox derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 387.213677847 u |
| Formula | C20H38BrNO |
| InChI | InChI=1S/C20H38BrNO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)19-22-20(2,3)17-23-19/h18H,4-17H2,1-3H3 |
| InChIKey | KLAXAVFBMYYIGM-UHFFFAOYSA-N |
| Molecular Weight | 388.434 g/mol |
| SMILES | C1(=NC(C)(C)CO1)C(CCCCCCCCCCCCCC)Br |