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N-[2-chloro-5-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
SpectraBase Compound ID JGmyVmxL5pS
InChI InChI=1S/C16H13ClF3NO3/c1-23-12-4-3-5-13(24-2)14(12)15(22)21-11-8-9(16(18,19)20)6-7-10(11)17/h3-8H,1-2H3,(H,21,22)
InChIKey WTVSIRKJZWXPDS-UHFFFAOYSA-N
Mol Weight 359.73 g/mol
Molecular Formula C16H13ClF3NO3
Exact Mass 359.053605 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gk8dR783y3S
Name N-[2-Chloro-5-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
Comments Computed using HOSE algorithm
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Exact Mass 359.053605469 u
Formula C16H13ClF3NO3
InChI InChI=1S/C16H13ClF3NO3/c1-23-12-4-3-5-13(24-2)14(12)15(22)21-11-8-9(16(18,19)20)6-7-10(11)17/h3-8H,1-2H3,(H,21,22)
InChIKey WTVSIRKJZWXPDS-UHFFFAOYSA-N
Molecular Weight 359.732 g/mol
SMILES N(C(C1=C(OC)C=CC=C1OC)=O)C1=CC(C(F)(F)F)=CC=C1Cl