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#60C;(S)-3-[5-[4-(HYDROXYMETHYL)-PHENYL]-1-(TRIFLUOROMETHYLSULFONYL)-2,5-DIHYDRO-1H-PYRROL-3-YL]-N-(PYRIDIN-3-YL)-5,6-DIHYDROPYRIDINE-1(2H)-CARBOXAMIDE

View entire compound with spectra: 1 NMR

#60C;(S)-3-[5-[4-(HYDROXYMETHYL)-PHENYL]-1-(TRIFLUOROMETHYLSULFONYL)-2,5-DIHYDRO-1H-PYRROL-3-YL]-N-(PYRIDIN-3-YL)-5,6-DIHYDROPYRIDINE-1(2H)-CARBOXAMIDE
SpectraBase Compound ID A2DNTCkCA37
InChI InChI=1S/C23H23F3N4O4S/c24-23(25,26)35(33,34)30-14-19(11-21(30)17-7-5-16(15-31)6-8-17)18-3-2-10-29(13-18)22(32)28-20-4-1-9-27-12-20/h1,3-9,11-12,21,31H,2,10,13-15H2,(H,28,32)/t21-/m0/s1
InChIKey OMUMZTAZVNGPBW-NRFANRHFSA-N
Mol Weight 508.52 g/mol
Molecular Formula C23H23F3N4O4S
Exact Mass 508.139211 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gt4R3b2Xjnt
Name #60C;(S)-3-[5-[4-(HYDROXYMETHYL)-PHENYL]-1-(TRIFLUOROMETHYLSULFONYL)-2,5-DIHYDRO-1H-PYRROL-3-YL]-N-(PYRIDIN-3-YL)-5,6-DIHYDROPYRIDINE-1(2H)-CARBOXAMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H23F3N4O4S
InChI InChI=1S/C23H23F3N4O4S/c24-23(25,26)35(33,34)30-14-19(11-21(30)17-7-5-16(15-31)6-8-17)18-3-2-10-29(13-18)22(32)28-20-4-1-9-27-12-20/h1,3-9,11-12,21,31H,2,10,13-15H2,(H,28,32)/t21-/m0/s1
InChIKey OMUMZTAZVNGPBW-NRFANRHFSA-N
Literature Reference Author S.K.MAURYA,M.DOW,S.WARRINER,A.NELSON
Literature Reference Citation BEIL.J.ORG.CHEM.,9,775(2013)
Literature Reference DOI 10.3762/bjoc.9.88
Molecular Weight 508.515 g/mol
Solvent CD3OD
Source File Reference UWLU77369