| SpectraBase Compound ID | GTCREb902EI |
|---|---|
| InChI | InChI=1S/C9H11ClFN/c1-2-12-6-7-8(10)4-3-5-9(7)11/h3-5,12H,2,6H2,1H3 |
| InChIKey | UYMQEQZDCJUWPU-UHFFFAOYSA-N |
| Mol Weight | 187.65 g/mol |
| Molecular Formula | C9H11ClFN |
| Exact Mass | 187.056405 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CZZyClNG0bz |
|---|---|
| Name | N-(2-Chloro-6-fluorobenzyl)ethanamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.056405221 u |
| Formula | C9H11ClFN |
| InChI | InChI=1S/C9H11ClFN/c1-2-12-6-7-8(10)4-3-5-9(7)11/h3-5,12H,2,6H2,1H3 |
| InChIKey | UYMQEQZDCJUWPU-UHFFFAOYSA-N |
| Molecular Weight | 187.645 g/mol |
| SMILES | C1(F)=C(C(=CC=C1)Cl)CNCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875213 |