| SpectraBase Compound ID | 67DgUhHCacf |
|---|---|
| InChI | InChI=1S/C16H31BrO2/c1-19-16(18)14-12-10-8-6-4-2-3-5-7-9-11-13-15-17/h2-15H2,1H3 |
| InChIKey | BVQSDPDEVQSPMW-UHFFFAOYSA-N |
| Mol Weight | 335.33 g/mol |
| Molecular Formula | C16H31BrO2 |
| Exact Mass | 334.150743 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GxJSwf6Tfx3 |
|---|---|
| Name | Pentadecanoic acid, 15-bromo-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.150743236 u |
| Formula | C16H31BrO2 |
| InChI | InChI=1S/C16H31BrO2/c1-19-16(18)14-12-10-8-6-4-2-3-5-7-9-11-13-15-17/h2-15H2,1H3 |
| InChIKey | BVQSDPDEVQSPMW-UHFFFAOYSA-N |
| Molecular Weight | 335.326 g/mol |
| SMILES | C(=O)(CCCCCCCCCCCCCCBr)OC |