SpectraBase Compound ID | CE5jl8hjJLh |
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InChI | InChI=1S/C8H6ClF2NO/c9-4-7(13)12-8-5(10)2-1-3-6(8)11/h1-3H,4H2,(H,12,13) |
InChIKey | KGKTXGFDPWHUBR-UHFFFAOYSA-N |
Mol Weight | 205.59 g/mol |
Molecular Formula | C8H6ClF2NO |
Exact Mass | 205.010598 g/mol |
SpectraBase Spectrum ID | I1Kkx0efEGG |
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Name | N1-(2,6-Difluorophenyl)-2-chloroacetamide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 205.010597842 u |
Formula | C8H6ClF2NO |
InChI | InChI=1S/C8H6ClF2NO/c9-4-7(13)12-8-5(10)2-1-3-6(8)11/h1-3H,4H2,(H,12,13) |
InChIKey | KGKTXGFDPWHUBR-UHFFFAOYSA-N |
Molecular Weight | 205.592 g/mol |
SMILES | C1(NC(=O)CCl)=C(C=CC=C1F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945717 |