| SpectraBase Compound ID | I0EJ4zI2pta |
|---|---|
| InChI | InChI=1S/C15H29BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18-2/h14H,3-13H2,1-2H3 |
| InChIKey | NTDPLPAGWMERRU-UHFFFAOYSA-N |
| Mol Weight | 321.3 g/mol |
| Molecular Formula | C15H29BrO2 |
| Exact Mass | 320.135093 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7lGggMLNwXn |
|---|---|
| Name | Tetradecanoic acid, 2-bromo-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.135093172 u |
| Formula | C15H29BrO2 |
| InChI | InChI=1S/C15H29BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18-2/h14H,3-13H2,1-2H3 |
| InChIKey | NTDPLPAGWMERRU-UHFFFAOYSA-N |
| Molecular Weight | 321.299 g/mol |
| SMILES | CCCCCCCCCCCCC(Br)C(=O)OC |