| SpectraBase Compound ID | JOowm49a7yv |
|---|---|
| InChI | InChI=1S/C16H29Br3O2/c17-13-9-4-2-1-3-6-10-14(18)15(19)11-7-5-8-12-16(20)21/h14-15H,1-13H2,(H,20,21) |
| InChIKey | UFHIHQUFRZQLEZ-UHFFFAOYSA-N |
| Mol Weight | 493.12 g/mol |
| Molecular Formula | C16H29Br3O2 |
| Exact Mass | 489.971769 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FxtxCJWDasw |
|---|---|
| Name | (Erythro)-7,8,16-tribromohexadecanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 489.971769172 u |
| Formula | C16H29Br3O2 |
| InChI | InChI=1S/C16H29Br3O2/c17-13-9-4-2-1-3-6-10-14(18)15(19)11-7-5-8-12-16(20)21/h14-15H,1-13H2,(H,20,21) |
| InChIKey | UFHIHQUFRZQLEZ-UHFFFAOYSA-N |
| Molecular Weight | 493.118 g/mol |
| SMILES | C(=O)(O)CCCCCC(C(Br)CCCCCCCCBr)Br |