| SpectraBase Compound ID | KOLEMC1lCxk |
|---|---|
| InChI | InChI=1S/C17H31Br5/c1-2-3-7-10-14(19)16(21)13-17(22)15(20)11-8-5-4-6-9-12-18/h14-17H,2-13H2,1H3 |
| InChIKey | WWTVMBNVFMKXFZ-UHFFFAOYSA-N |
| Mol Weight | 634.95 g/mol |
| Molecular Formula | C17H31Br5 |
| Exact Mass | 629.834266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AiEO6K76mml |
|---|---|
| Name | 1,8,9,11,12-Pentabromoheptadecane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 629.834265998 u |
| Formula | C17H31Br5 |
| InChI | InChI=1S/C17H31Br5/c1-2-3-7-10-14(19)16(21)13-17(22)15(20)11-8-5-4-6-9-12-18/h14-17H,2-13H2,1H3 |
| InChIKey | WWTVMBNVFMKXFZ-UHFFFAOYSA-N |
| Molecular Weight | 634.955 g/mol |
| SMILES | C(C(C(Br)CCCCCCCBr)Br)C(C(Br)CCCCC)Br |