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N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenoxybutanamide

View entire compound with spectra: 2 NMR

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenoxybutanamide
SpectraBase Compound ID IZI7Bhw1j7W
InChI InChI=1S/C19H17BrN2O2S/c1-2-17(24-15-6-4-3-5-7-15)18(23)22-19-21-16(12-25-19)13-8-10-14(20)11-9-13/h3-12,17H,2H2,1H3,(H,21,22,23)
InChIKey WTPQJOKLMUGDKP-UHFFFAOYSA-N
Mol Weight 417.32 g/mol
Molecular Formula C19H17BrN2O2S
Exact Mass 416.019412 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FtrkxMJWQvp
Name N-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-2-phenoxybutanamide
Comments Computed using HOSE algorithm
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Exact Mass 416.019411967 u
Formula C19H17BrN2O2S
InChI InChI=1S/C19H17BrN2O2S/c1-2-17(24-15-6-4-3-5-7-15)18(23)22-19-21-16(12-25-19)13-8-10-14(20)11-9-13/h3-12,17H,2H2,1H3,(H,21,22,23)
InChIKey WTPQJOKLMUGDKP-UHFFFAOYSA-N
Molecular Weight 417.321 g/mol
SMILES N(C1=NC(C=2C=CC(Br)=CC2)=CS1)C(C(OC1=CC=CC=C1)CC)=O