| SpectraBase Compound ID | oHcVA1n7o1 |
|---|---|
| InChI | InChI=1S/C8H13Br3O/c1-2-3-4-5-6(9)7(12)8(10)11/h6,8H,2-5H2,1H3 |
| InChIKey | SGDLDJRUSFAAHK-UHFFFAOYSA-N |
| Mol Weight | 364.9 g/mol |
| Molecular Formula | C8H13Br3O |
| Exact Mass | 361.851654 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HShru3lZYiH |
|---|---|
| Name | 1,1,3-Tribromooctan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.851654038 u |
| Formula | C8H13Br3O |
| InChI | InChI=1S/C8H13Br3O/c1-2-3-4-5-6(9)7(12)8(10)11/h6,8H,2-5H2,1H3 |
| InChIKey | SGDLDJRUSFAAHK-UHFFFAOYSA-N |
| Molecular Weight | 364.903 g/mol |
| SMILES | C(C(C(CCCCC)Br)=O)(Br)Br |