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2-(benzyloxy)-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}benzamide
SpectraBase Compound ID BcpV3kHeHSc
InChI InChI=1S/C24H19FN2O2S/c25-19-12-10-17(11-13-19)14-20-15-26-24(30-20)27-23(28)21-8-4-5-9-22(21)29-16-18-6-2-1-3-7-18/h1-13,15H,14,16H2,(H,26,27,28)
InChIKey ZOISFEJUMVIQPA-UHFFFAOYSA-N
Mol Weight 418.49 g/mol
Molecular Formula C24H19FN2O2S
Exact Mass 418.115127 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2DMkcm1AR7x
Name 2-(Benzyloxy)-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}benzamide
Comments Computed using HOSE algorithm
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Exact Mass 418.115127195 u
Formula C24H19FN2O2S
InChI InChI=1S/C24H19FN2O2S/c25-19-12-10-17(11-13-19)14-20-15-26-24(30-20)27-23(28)21-8-4-5-9-22(21)29-16-18-6-2-1-3-7-18/h1-13,15H,14,16H2,(H,26,27,28)
InChIKey ZOISFEJUMVIQPA-UHFFFAOYSA-N
Molecular Weight 418.486 g/mol
SMILES C1(NC(C=2C(OCC3=CC=CC=C3)=CC=CC2)=O)=NC=C(S1)CC1=CC=C(F)C=C1