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5-Benzyl-2-({4-[(2-bromophenoxy)methyl]benzoyl}amino)-3-thiophenecarboxamide
SpectraBase Compound ID AdkF1cXNYwl
InChI InChI=1S/C26H21BrN2O3S/c27-22-8-4-5-9-23(22)32-16-18-10-12-19(13-11-18)25(31)29-26-21(24(28)30)15-20(33-26)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2,(H2,28,30)(H,29,31)
InChIKey OMVTWONGLNJKMM-UHFFFAOYSA-N
Mol Weight 521.43 g/mol
Molecular Formula C26H21BrN2O3S
Exact Mass 520.045627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7BGd1bXs7yY
Name 5-Benzyl-2-({4-[(2-bromophenoxy)methyl]benzoyl}amino)-3-thiophenecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 520.045626715 u
Formula C26H21BrN2O3S
InChI InChI=1S/C26H21BrN2O3S/c27-22-8-4-5-9-23(22)32-16-18-10-12-19(13-11-18)25(31)29-26-21(24(28)30)15-20(33-26)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2,(H2,28,30)(H,29,31)
InChIKey OMVTWONGLNJKMM-UHFFFAOYSA-N
Molecular Weight 521.429 g/mol
SMILES NC(C1=C(SC(=C1)CC1=CC=CC=C1)NC(C1=CC=C(COC2=C(Br)C=CC=C2)C=C1)=O)=O