| SpectraBase Compound ID | 60QQ1xXijtb |
|---|---|
| InChI | InChI=1S/C7H7ClFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H,4,10H2 |
| InChIKey | LQAUXDMGRBWDIU-UHFFFAOYSA-N |
| Mol Weight | 159.59 g/mol |
| Molecular Formula | C7H7ClFN |
| Exact Mass | 159.025105 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7qhVNfXIOCQ |
|---|---|
| Name | 3-Chloro-4-fluorobenzylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.025105092 u |
| Formula | C7H7ClFN |
| InChI | InChI=1S/C7H7ClFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H,4,10H2 |
| InChIKey | LQAUXDMGRBWDIU-UHFFFAOYSA-N |
| Molecular Weight | 159.591 g/mol |
| SMILES | C1(F)=C(C=C(C=C1)CN)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941982 |