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N-(2-methyl-6-benzoxazolyl)-2,2,2-trichloroacetamide
SpectraBase Compound ID B0MXOpGNrgi
InChI InChI=1S/C10H7Cl3N2O2/c1-5-14-7-3-2-6(4-8(7)17-5)15-9(16)10(11,12)13/h2-4H,1H3,(H,15,16)
InChIKey JFEOTHXVFJYFHJ-UHFFFAOYSA-N
Mol Weight 293.54 g/mol
Molecular Formula C10H7Cl3N2O2
Exact Mass 291.957311 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JRf2pTTREEw
Name N-(2-Methyl-6-benzoxazolyl)-2,2,2-trichloroacetamide
Comments Computed using HOSE algorithm
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Exact Mass 291.957310571 u
Formula C10H7Cl3N2O2
InChI InChI=1S/C10H7Cl3N2O2/c1-5-14-7-3-2-6(4-8(7)17-5)15-9(16)10(11,12)13/h2-4H,1H3,(H,15,16)
InChIKey JFEOTHXVFJYFHJ-UHFFFAOYSA-N
SMILES N(C1=CC=2OC(=NC2C=C1)C)C(C(Cl)(Cl)Cl)=O