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2-Methyl-N-[2,2,2-trichloro-1-(2,4-dinitrophenoxy)ethyl]propanamide
SpectraBase Compound ID 9ZNkuYNBbA1
InChI InChI=1S/C12H12Cl3N3O6/c1-6(2)10(19)16-11(12(13,14)15)24-9-4-3-7(17(20)21)5-8(9)18(22)23/h3-6,11H,1-2H3,(H,16,19)
InChIKey JSCDKWAIJWZBJI-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C12H12Cl3N3O6
Exact Mass 398.979168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4kh3aWkMHZN
Name N-[2,2,2-TRICHLORO-1-(2,4-DINITROPHENOXY)ETHYL]ISOBUTYRAMIDE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H12Cl3N3O6
InChI InChI=1S/C12H12Cl3N3O6/c1-6(2)10(19)16-11(12(13,14)15)24-9-4-3-7(17(20)21)5-8(9)18(22)23/h3-6,11H,1-2H3,(H,16,19)
InChIKey JSCDKWAIJWZBJI-UHFFFAOYSA-N
Molecular Weight 398.9790
SMILES N(C(Oc1ccc(N(=O)=O)cc1N(=O)=O)C(Cl)(Cl)Cl)C(=O)C(C)C
SPLASH splash10-006x-9100000000-2ee29f308410f661a198
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