| SpectraBase Compound ID | 5dJKjruqrkC |
|---|---|
| InChI | InChI=1S/C10H14FN/c1-2-3-7-12-10-6-4-5-9(11)8-10/h4-6,8,12H,2-3,7H2,1H3 |
| InChIKey | QNKWPYNHNNUWQL-UHFFFAOYSA-N |
| Mol Weight | 167.23 g/mol |
| Molecular Formula | C10H14FN |
| Exact Mass | 167.111028 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IQigb81lZQ |
|---|---|
| Name | N-Butyl-3-fluoroaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.111027618 u |
| Formula | C10H14FN |
| InChI | InChI=1S/C10H14FN/c1-2-3-7-12-10-6-4-5-9(11)8-10/h4-6,8,12H,2-3,7H2,1H3 |
| InChIKey | QNKWPYNHNNUWQL-UHFFFAOYSA-N |
| Molecular Weight | 167.227 g/mol |
| SMILES | C1(NCCCC)=CC(=CC=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878125 |