| SpectraBase Compound ID | 7LbZEWFaY0I |
|---|---|
| InChI | InChI=1S/C10H12BrNO/c1-10(2,11)9(13)12-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,12,13) |
| InChIKey | PLMADUFDYDHKTB-UHFFFAOYSA-N |
| Mol Weight | 242.12 g/mol |
| Molecular Formula | C10H12BrNO |
| Exact Mass | 241.010227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fx9VIYJy7dM |
|---|---|
| Name | Isobutyric acid, 2-bromo-N-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.010227009 u |
| Formula | C10H12BrNO |
| InChI | InChI=1S/C10H12BrNO/c1-10(2,11)9(13)12-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,12,13) |
| InChIKey | PLMADUFDYDHKTB-UHFFFAOYSA-N |
| Molecular Weight | 242.116 g/mol |
| SMILES | C1(=CC=CC=C1)NC(=O)C(C)(C)Br |