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N-(3-chloro-4-fluorobenzyl)-3-methyl-4,4,4-trichlorobutyramide

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

N-(3-chloro-4-fluorobenzyl)-3-methyl-4,4,4-trichlorobutyramide
SpectraBase Compound ID 5FGpC2glfYg
InChI InChI=1S/C12H12Cl4FNO/c1-7(12(14,15)16)4-11(19)18-6-8-2-3-10(17)9(13)5-8/h2-3,5,7H,4,6H2,1H3,(H,18,19)
InChIKey CZWBOWQQEFVYJS-UHFFFAOYSA-N
Mol Weight 347.0 g/mol
Molecular Formula C12H12Cl4FNO
Exact Mass 344.965703 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KRGu44seA1k
Name N-(3-Chloro-4-fluorobenzyl)-3-methyl-4,4,4-trichlorobutyramide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.965702972 u
Formula C12H12Cl4FNO
InChI InChI=1S/C12H12Cl4FNO/c1-7(12(14,15)16)4-11(19)18-6-8-2-3-10(17)9(13)5-8/h2-3,5,7H,4,6H2,1H3,(H,18,19)
InChIKey CZWBOWQQEFVYJS-UHFFFAOYSA-N
Molecular Weight 347.044 g/mol
SMILES N(CC=1C=C(C(=CC1)F)Cl)C(CC(C(Cl)(Cl)Cl)C)=O
Spectrum/Structure Validation Score (Raman) 0.915589