| SpectraBase Compound ID | 2I1sNybx8LI |
|---|---|
| InChI | InChI=1S/C12H14FN/c1-2-3-7-14-8-6-10-9-11(13)4-5-12(10)14/h4-6,8-9H,2-3,7H2,1H3 |
| InChIKey | BJWRLSDMLRJFEM-UHFFFAOYSA-N |
| Mol Weight | 191.25 g/mol |
| Molecular Formula | C12H14FN |
| Exact Mass | 191.111028 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 76sK98V3jpZ |
|---|---|
| Name | 1-Butyl-5-fluoroindole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.111027618 u |
| Formula | C12H14FN |
| InChI | InChI=1S/C12H14FN/c1-2-3-7-14-8-6-10-9-11(13)4-5-12(10)14/h4-6,8-9H,2-3,7H2,1H3 |
| InChIKey | BJWRLSDMLRJFEM-UHFFFAOYSA-N |
| Molecular Weight | 191.249 g/mol |
| SMILES | C1=2C(=CC(=CC2)F)C=CN1CCCC |