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2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]nicotinamide

View entire compound with spectra: 2 NMR

2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]nicotinamide
SpectraBase Compound ID 37N2RwxmeFH
InChI InChI=1S/C17H14ClN3OS/c1-10-5-6-12(11(2)8-10)14-9-23-17(20-14)21-16(22)13-4-3-7-19-15(13)18/h3-9H,1-2H3,(H,20,21,22)
InChIKey BITOSLVEEZLKRB-UHFFFAOYSA-N
Mol Weight 343.83 g/mol
Molecular Formula C17H14ClN3OS
Exact Mass 343.054611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JtHHSwUweTa
Name 2-Chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]nicotinamide
Comments Computed using HOSE algorithm
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Exact Mass 343.054610956 u
Formula C17H14ClN3OS
InChI InChI=1S/C17H14ClN3OS/c1-10-5-6-12(11(2)8-10)14-9-23-17(20-14)21-16(22)13-4-3-7-19-15(13)18/h3-9H,1-2H3,(H,20,21,22)
InChIKey BITOSLVEEZLKRB-UHFFFAOYSA-N
Molecular Weight 343.832 g/mol
SMILES N(C(C=1C(=NC=CC1)Cl)=O)C1=NC(C2=C(C=C(C=C2)C)C)=CS1