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4-[(2,2,2-trifluoroethoxy)methyl]-N-(3,4,5-trimethoxyphenyl)benzamide
SpectraBase Compound ID 69dV7N71ylu
InChI InChI=1S/C19H20F3NO5/c1-25-15-8-14(9-16(26-2)17(15)27-3)23-18(24)13-6-4-12(5-7-13)10-28-11-19(20,21)22/h4-9H,10-11H2,1-3H3,(H,23,24)
InChIKey ZSPGSZDEYGJQHC-UHFFFAOYSA-N
Mol Weight 399.37 g/mol
Molecular Formula C19H20F3NO5
Exact Mass 399.129357 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HpNnFiW8cm8
Name 4-[(2,2,2-Trifluoroethoxy)methyl]-N-(3,4,5-trimethoxyphenyl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 399.129357232 u
Formula C19H20F3NO5
InChI InChI=1S/C19H20F3NO5/c1-25-15-8-14(9-16(26-2)17(15)27-3)23-18(24)13-6-4-12(5-7-13)10-28-11-19(20,21)22/h4-9H,10-11H2,1-3H3,(H,23,24)
InChIKey ZSPGSZDEYGJQHC-UHFFFAOYSA-N
Molecular Weight 399.366 g/mol
SMILES N(C=1C=C(OC)C(=C(C1)OC)OC)C(C1=CC=C(C=C1)COCC(F)(F)F)=O