![2-[(E)-6-bromanyl-3-methyl-hex-3-enyl]-1,3,3-trimethyl-cyclohexene](/api/spectrum/AdOx7ZvITNi/structure.png?h=300&w=458 "2-[(E)-6-bromanyl-3-methyl-hex-3-enyl]-1,3,3-trimethyl-cyclohexene")
| SpectraBase Compound ID | DOM3KWO70UO |
|---|---|
| InChI | InChI=1S/C16H27Br/c1-13(7-6-12-17)9-10-15-14(2)8-5-11-16(15,3)4/h7H,5-6,8-12H2,1-4H3/b13-7+ |
| InChIKey | JIAOWXWJOBVFLL-NTUHNPAUSA-N |
| Mol Weight | 299.3 g/mol |
| Molecular Formula | C16H27Br |
| Exact Mass | 298.129614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AdOx7ZvITNi |
|---|---|
| Name | 2-[(E)-6-Bromanyl-3-methyl-hex-3-enyl]-1,3,3-trimethyl-cyclohexene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.129613869 u |
| Formula | C16H27Br |
| InChI | InChI=1S/C16H27Br/c1-13(7-6-12-17)9-10-15-14(2)8-5-11-16(15,3)4/h7H,5-6,8-12H2,1-4H3/b13-7+ |
| InChIKey | JIAOWXWJOBVFLL-NTUHNPAUSA-N |
| SMILES | C1(=C(CCCC1(C)C)C)CC\C(=C\CCBr)C |