| SpectraBase Compound ID | 5WrbJkWS6GM |
|---|---|
| InChI | InChI=1S/C11H10ClF2NO/c12-11(13,14)10(16)15-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,15,16) |
| InChIKey | HJPJJHZQUBYLFY-UHFFFAOYSA-N |
| Mol Weight | 245.66 g/mol |
| Molecular Formula | C11H10ClF2NO |
| Exact Mass | 245.041898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GPJBrvCtDtZ |
|---|---|
| Name | Trans-2-phenylcyclopropylamine, N-chlorodifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.041897971 u |
| Formula | C11H10ClF2NO |
| InChI | InChI=1S/C11H10ClF2NO/c12-11(13,14)10(16)15-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,15,16) |
| InChIKey | HJPJJHZQUBYLFY-UHFFFAOYSA-N |
| Molecular Weight | 245.657 g/mol |
| SMILES | C1(CC1NC(C(F)(F)Cl)=O)C1=CC=CC=C1 |