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N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-[(4-ethylphenoxy)methyl]benzamide
SpectraBase Compound ID BStzXL7v4nK
InChI InChI=1S/C28H28N2O2S/c1-5-21-9-14-25(15-10-21)32-17-22-7-12-23(13-8-22)27(31)30-28-29-26(20(4)33-28)24-11-6-18(2)19(3)16-24/h6-16H,5,17H2,1-4H3,(H,29,30,31)
InChIKey RFHYVWDCUIDHST-UHFFFAOYSA-N
Mol Weight 456.6 g/mol
Molecular Formula C28H28N2O2S
Exact Mass 456.187149 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FrVZlBQbf5W
Name N-[4-(3,4-Dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-[(4-ethylphenoxy)methyl]benzamide
Comments Computed using HOSE algorithm
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Exact Mass 456.187149322 u
Formula C28H28N2O2S
InChI InChI=1S/C28H28N2O2S/c1-5-21-9-14-25(15-10-21)32-17-22-7-12-23(13-8-22)27(31)30-28-29-26(20(4)33-28)24-11-6-18(2)19(3)16-24/h6-16H,5,17H2,1-4H3,(H,29,30,31)
InChIKey RFHYVWDCUIDHST-UHFFFAOYSA-N
Molecular Weight 456.604 g/mol
SMILES N(C1=NC(C=2C=C(C)C(=CC2)C)=C(S1)C)C(C1=CC=C(C=C1)COC=1C=CC(=CC1)CC)=O