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N-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide
SpectraBase Compound ID 1SqSn8xXJq
InChI InChI=1S/C22H20F3N3O2S/c23-22(24,25)17-3-1-2-16(12-17)20(29)26-18-6-4-15(5-7-18)21-27-19(14-31-21)13-28-8-10-30-11-9-28/h1-7,12,14H,8-11,13H2,(H,26,29)
InChIKey NGNHOZMZDNGWGF-UHFFFAOYSA-N
Mol Weight 447.48 g/mol
Molecular Formula C22H20F3N3O2S
Exact Mass 447.122833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8BA52TcPeE5
Name N-{4-[4-(Morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl}-3-(trifluoromethyl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 447.122832557 u
Formula C22H20F3N3O2S
InChI InChI=1S/C22H20F3N3O2S/c23-22(24,25)17-3-1-2-16(12-17)20(29)26-18-6-4-15(5-7-18)21-27-19(14-31-21)13-28-8-10-30-11-9-28/h1-7,12,14H,8-11,13H2,(H,26,29)
InChIKey NGNHOZMZDNGWGF-UHFFFAOYSA-N
Molecular Weight 447.476 g/mol
SMILES C(C1=CC(C(F)(F)F)=CC=C1)(=O)NC=1C=CC(C2=NC(=CS2)CN2CCOCC2)=CC1