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1-(p-Chlorophenyl)-3-[2-(alpha,alpha,alpha-trifluoro-p-tolyl)-4-thiazolyl]urea
SpectraBase Compound ID 43Cu7gHTU4F
InChI InChI=1S/C17H11ClF3N3OS/c18-12-5-7-13(8-6-12)22-16(25)24-14-9-26-15(23-14)10-1-3-11(4-2-10)17(19,20)21/h1-9H,(H2,22,24,25)
InChIKey MFSCSVBDDLAACN-UHFFFAOYSA-N
Mol Weight 397.8 g/mol
Molecular Formula C17H11ClF3N3OS
Exact Mass 397.026345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQrJtyJ2c9N
Name 1-(p-Chlorophenyl)-3-[2-(alpha,alpha,alpha-trifluoro-p-tolyl)-4-thiazolyl]urea
Comments Computed using HOSE algorithm
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Exact Mass 397.026345348 u
Formula C17H11ClF3N3OS
InChI InChI=1S/C17H11ClF3N3OS/c18-12-5-7-13(8-6-12)22-16(25)24-14-9-26-15(23-14)10-1-3-11(4-2-10)17(19,20)21/h1-9H,(H2,22,24,25)
InChIKey MFSCSVBDDLAACN-UHFFFAOYSA-N
Molecular Weight 397.803 g/mol
SMILES N(C=1N=C(C2=CC=C(C=C2)C(F)(F)F)SC1)C(NC=1C=CC(=CC1)Cl)=O