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2-(2,4-Dinitrophenoxy)-N-(1-hydroxy-2,2,2-trichloroethyl)acetamide
SpectraBase Compound ID FAKDybqwOEG
InChI InChI=1S/C10H8Cl3N3O7/c11-10(12,13)9(18)14-8(17)4-23-7-2-1-5(15(19)20)3-6(7)16(21)22/h1-3,9,18H,4H2,(H,14,17)
InChIKey CSXNSZOTGQRTAN-UHFFFAOYSA-N
Mol Weight 388.55 g/mol
Molecular Formula C10H8Cl3N3O7
Exact Mass 386.942783 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID InnOuAH9Ns4
Name 2-(2,4-Dinitrophenoxy)-N-(1-hydroxy-2,2,2-trichloroethyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 386.942782703 u
Formula C10H8Cl3N3O7
InChI InChI=1S/C10H8Cl3N3O7/c11-10(12,13)9(18)14-8(17)4-23-7-2-1-5(15(19)20)3-6(7)16(21)22/h1-3,9,18H,4H2,(H,14,17)
InChIKey CSXNSZOTGQRTAN-UHFFFAOYSA-N
Molecular Weight 388.547 g/mol
SMILES N(C(=O)COC=1C=CC(=CC1N(=O)=O)N(=O)=O)C(C(Cl)(Cl)Cl)O