| SpectraBase Compound ID | ABh4eugxWpV |
|---|---|
| InChI | InChI=1S/C10H11BrO2/c1-7(2)10(12)13-9-5-3-8(11)4-6-9/h3-7H,1-2H3 |
| InChIKey | RHQDHVMKCMJXFR-UHFFFAOYSA-N |
| Mol Weight | 243.1 g/mol |
| Molecular Formula | C10H11BrO2 |
| Exact Mass | 241.994243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9sExH6Ja3FR |
|---|---|
| Name | 4-Bromophenol, 2-methylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.994242592 u |
| Formula | C10H11BrO2 |
| InChI | InChI=1S/C10H11BrO2/c1-7(2)10(12)13-9-5-3-8(11)4-6-9/h3-7H,1-2H3 |
| InChIKey | RHQDHVMKCMJXFR-UHFFFAOYSA-N |
| Molecular Weight | 243.100 g/mol |
| SMILES | C1=CC(=CC=C1OC(C(C)C)=O)Br |