| SpectraBase Compound ID | 16iErhlDByb |
|---|---|
| InChI | InChI=1S/C11H15Br/c1-9-3-5-11(6-4-9)7-10(2)8-12/h3-6,10H,7-8H2,1-2H3 |
| InChIKey | PBHJZNJETKKQAT-UHFFFAOYSA-N |
| Mol Weight | 227.14 g/mol |
| Molecular Formula | C11H15Br |
| Exact Mass | 226.035713 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4iHcyUCXrfn |
|---|---|
| Name | Benzene, 1-(3-bromo-2-methylpropyl)-4-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.035713483 u |
| Formula | C11H15Br |
| InChI | InChI=1S/C11H15Br/c1-9-3-5-11(6-4-9)7-10(2)8-12/h3-6,10H,7-8H2,1-2H3 |
| InChIKey | PBHJZNJETKKQAT-UHFFFAOYSA-N |
| Molecular Weight | 227.145 g/mol |
| SMILES | C1=C(C=CC(=C1)C)CC(CBr)C |