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N-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYLMETHYL]-N-(3-HYDROXYPROPYL)-4-CHLORO-6-(2-METHYLPHENYL)-2-METHYLTHIOPYRIMIDINE-5-CARBOXAMIDE

View entire compound with spectra: 1 NMR

N-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYLMETHYL]-N-(3-HYDROXYPROPYL)-4-CHLORO-6-(2-METHYLPHENYL)-2-METHYLTHIOPYRIMIDINE-5-CARBOXAMIDE
SpectraBase Compound ID 7d9ouUOAnUo
InChI InChI=1S/C25H22ClF6N3O2S/c1-14-6-3-4-7-18(14)20-19(21(26)34-23(33-20)38-2)22(37)35(8-5-9-36)13-15-10-16(24(27,28)29)12-17(11-15)25(30,31)32/h3-4,6-7,10-12,36H,5,8-9,13H2,1-2H3
InChIKey DBVYZGDPFBZXTA-UHFFFAOYSA-N
Mol Weight 577.97 g/mol
Molecular Formula C25H22ClF6N3O2S
Exact Mass 577.102545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AtTuF5d0mXm
Name N-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYLMETHYL]-N-(3-HYDROXYPROPYL)-4-CHLORO-6-(2-METHYLPHENYL)-2-METHYLTHIOPYRIMIDINE-5-CARBOXAMIDE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H22ClF6N3O2S
InChI InChI=1S/C25H22ClF6N3O2S/c1-14-6-3-4-7-18(14)20-19(21(26)34-23(33-20)38-2)22(37)35(8-5-9-36)13-15-10-16(24(27,28)29)12-17(11-15)25(30,31)32/h3-4,6-7,10-12,36H,5,8-9,13H2,1-2H3
InChIKey DBVYZGDPFBZXTA-UHFFFAOYSA-N
Literature Reference Author I.ARAYA,S.KANAZAWA,H.AKITA
Literature Reference Citation CHEM.PHARM.BULL.,56,176(2008)
Literature Reference DOI 10.1248/cpb.56.176
Molecular Weight 577.972 g/mol
Sample ID 1260
Solvent CDCl3