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Dichloroacetamide, N-3-methylbutyl-
SpectraBase Compound ID Fes8paEuex3
InChI InChI=1S/C7H13Cl2NO/c1-5(2)3-4-10-7(11)6(8)9/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKey LLTJBNXCNDWEBM-UHFFFAOYSA-N
Mol Weight 198.09 g/mol
Molecular Formula C7H13Cl2NO
Exact Mass 197.037419 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Df3oMbJeNfG
Name Dichloroacetamide, N-3-methylbutyl-
Comments Computed using HOSE algorithm
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Exact Mass 197.037419442 u
Formula C7H13Cl2NO
InChI InChI=1S/C7H13Cl2NO/c1-5(2)3-4-10-7(11)6(8)9/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKey LLTJBNXCNDWEBM-UHFFFAOYSA-N
Molecular Weight 198.093 g/mol
SMILES C(C(Cl)Cl)(NCCC(C)C)=O