| SpectraBase Compound ID | 4foHSsAwGoA |
|---|---|
| InChI | InChI=1S/C11H9BrF5NO/c1-6(7-2-4-8(12)5-3-7)18-9(19)10(13,14)11(15,16)17/h2-6H,1H3,(H,18,19) |
| InChIKey | QXIPARHSBLCNEX-UHFFFAOYSA-N |
| Mol Weight | 346.1 g/mol |
| Molecular Formula | C11H9BrF5NO |
| Exact Mass | 344.978768 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | xoke1jz6KK |
|---|---|
| Name | 4-Bromo-alpha-phenethylamine pfp |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.978767728 u |
| Formula | C11H9BrF5NO |
| InChI | InChI=1S/C11H9BrF5NO/c1-6(7-2-4-8(12)5-3-7)18-9(19)10(13,14)11(15,16)17/h2-6H,1H3,(H,18,19) |
| InChIKey | QXIPARHSBLCNEX-UHFFFAOYSA-N |
| Molecular Weight | 346.095 g/mol |
| SMILES | C(C(F)(F)F)(C(NC(C=1C=CC(=CC1)Br)C)=O)(F)F |