| SpectraBase Compound ID | 5fV9NLIwfka |
|---|---|
| InChI | InChI=1S/C16H21BrO/c1-12(2)5-4-6-13(3)7-8-14-11-15(17)9-10-16(14)18/h5,7,9-11,18H,4,6,8H2,1-3H3/b13-7- |
| InChIKey | PBNUEAOLMPSCQM-QPEQYQDCSA-N |
| Mol Weight | 309.25 g/mol |
| Molecular Formula | C16H21BrO |
| Exact Mass | 308.077578 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jwyt314SaTt |
|---|---|
| Name | Phenol, 4-bromo-2-(3,7-dimethyl-2,6-octadienyl)- (Z)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.077578295 u |
| Formula | C16H21BrO |
| InChI | InChI=1S/C16H21BrO/c1-12(2)5-4-6-13(3)7-8-14-11-15(17)9-10-16(14)18/h5,7,9-11,18H,4,6,8H2,1-3H3/b13-7- |
| InChIKey | PBNUEAOLMPSCQM-QPEQYQDCSA-N |
| Molecular Weight | 309.247 g/mol |
| SMILES | C1(O)=CC=C(C=C1C\C=C/(CCC=C(C)C)C)Br |