| SpectraBase Compound ID | JeYEAYNBQ7M |
|---|---|
| InChI | InChI=1S/C16H21BrO2/c1-11(2)5-4-6-12(3)7-8-13-9-16(19)14(17)10-15(13)18/h5,7,9-10,18-19H,4,6,8H2,1-3H3/b12-7+ |
| InChIKey | IUFDABCKTYWJDR-KPKJPENVSA-N |
| Mol Weight | 325.25 g/mol |
| Molecular Formula | C16H21BrO2 |
| Exact Mass | 324.072493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dbj38HGt3tB |
|---|---|
| Name | 1,4-Benzenediol, 2-bromo-5-(3,7-dimethyl-2,6-octadienyl)-, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.072492914 u |
| Formula | C16H21BrO2 |
| InChI | InChI=1S/C16H21BrO2/c1-11(2)5-4-6-12(3)7-8-13-9-16(19)14(17)10-15(13)18/h5,7,9-10,18-19H,4,6,8H2,1-3H3/b12-7+ |
| InChIKey | IUFDABCKTYWJDR-KPKJPENVSA-N |
| Molecular Weight | 325.246 g/mol |
| SMILES | C1=C(C(O)=CC(=C1O)C\C=C\(CCC=C(C)C)C)Br |