| SpectraBase Compound ID | CoQE5CAFE4H |
|---|---|
| InChI | InChI=1S/C11H15ClFN/c1-2-7-14-8-6-9-4-3-5-10(12)11(9)13/h3-5,14H,2,6-8H2,1H3 |
| InChIKey | WTQJKBYONYRQRX-UHFFFAOYSA-N |
| Mol Weight | 215.7 g/mol |
| Molecular Formula | C11H15ClFN |
| Exact Mass | 215.087705 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FA7ghFjtSrD |
|---|---|
| Name | N-Propyl-3-chloro-2-fluorophenethylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.087705350 u |
| Formula | C11H15ClFN |
| InChI | InChI=1S/C11H15ClFN/c1-2-7-14-8-6-9-4-3-5-10(12)11(9)13/h3-5,14H,2,6-8H2,1H3 |
| InChIKey | WTQJKBYONYRQRX-UHFFFAOYSA-N |
| Molecular Weight | 215.699 g/mol |
| SMILES | C=1(C(=C(C=CC1)Cl)F)CCNCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874939 |