| SpectraBase Compound ID | CCAzG8II3Y |
|---|---|
| InChI | InChI=1S/C12H13BrFN/c1-3-8-15(9-10(2)13)12-7-5-4-6-11(12)14/h3-7H,1-2,8-9H2 |
| InChIKey | DBKAYWNZOXCTAC-UHFFFAOYSA-N |
| Mol Weight | 270.15 g/mol |
| Molecular Formula | C12H13BrFN |
| Exact Mass | 269.021541 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IcIW4K7xXrW |
|---|---|
| Name | N-Allyl-N-(2-bromoallyl)-2-fluoroaniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.021540586 u |
| Formula | C12H13BrFN |
| InChI | InChI=1S/C12H13BrFN/c1-3-8-15(9-10(2)13)12-7-5-4-6-11(12)14/h3-7H,1-2,8-9H2 |
| InChIKey | DBKAYWNZOXCTAC-UHFFFAOYSA-N |
| Molecular Weight | 270.145 g/mol |
| SMILES | C=1(N(CC(=C)Br)CC=C)C(=CC=CC1)F |