| SpectraBase Compound ID | KLMcwdqlAkN |
|---|---|
| InChI | InChI=1S/C9H11BrO/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7H,1-2H3 |
| InChIKey | DUCFFBWPWJEFDI-UHFFFAOYSA-N |
| Mol Weight | 215.09 g/mol |
| Molecular Formula | C9H11BrO |
| Exact Mass | 213.999328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KGT1u3XHgOR |
|---|---|
| Name | 4-Bromo-.alpha.-methylbenzyl alcohol, methyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.999327973 u |
| Formula | C9H11BrO |
| InChI | InChI=1S/C9H11BrO/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7H,1-2H3 |
| InChIKey | DUCFFBWPWJEFDI-UHFFFAOYSA-N |
| Molecular Weight | 215.090 g/mol |
| SMILES | C1=C(C=CC(=C1)Br)C(OC)C |