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#63C;(S)-3-[[5-[4-(HYDROXYMETHYL)-PHENYL]-1-(TRIFLUOROMETHYLSULFONYL)-2,5-DIHYDRO-1H-PYRROL-3-YL]-ETHYNYL]-N-(PYRIDIN-3-YL)-5,6-DIHYDROPYRIDINE-1(2H)-CARBOXAMI

View entire compound with spectra: 1 NMR

#63C;(S)-3-[[5-[4-(HYDROXYMETHYL)-PHENYL]-1-(TRIFLUOROMETHYLSULFONYL)-2,5-DIHYDRO-1H-PYRROL-3-YL]-ETHYNYL]-N-(PYRIDIN-3-YL)-5,6-DIHYDROPYRIDINE-1(2H)-CARBOXAMI
SpectraBase Compound ID ByHlLflJ8cD
InChI InChI=1S/C25H23F3N4O4S/c26-25(27,28)37(35,36)32-16-20(13-23(32)21-9-7-19(17-33)8-10-21)6-5-18-3-2-12-31(15-18)24(34)30-22-4-1-11-29-14-22/h1,3-4,7-11,13-14,23,33H,2,12,15-17H2,(H,30,34)/t23-/m0/s1
InChIKey MFMFYWLLAUKITK-QHCPKHFHSA-N
Mol Weight 532.54 g/mol
Molecular Formula C25H23F3N4O4S
Exact Mass 532.139211 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4DNTJVvacbW
Name #63C;(S)-3-[[5-[4-(HYDROXYMETHYL)-PHENYL]-1-(TRIFLUOROMETHYLSULFONYL)-2,5-DIHYDRO-1H-PYRROL-3-YL]-ETHYNYL]-N-(PYRIDIN-3-YL)-5,6-DIHYDROPYRIDINE-1(2H)-CARBOXAMI
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H23F3N4O4S
InChI InChI=1S/C25H23F3N4O4S/c26-25(27,28)37(35,36)32-16-20(13-23(32)21-9-7-19(17-33)8-10-21)6-5-18-3-2-12-31(15-18)24(34)30-22-4-1-11-29-14-22/h1,3-4,7-11,13-14,23,33H,2,12,15-17H2,(H,30,34)/t23-/m0/s1
InChIKey MFMFYWLLAUKITK-QHCPKHFHSA-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 532.537 g/mol
Solvent CD3OD
Source File Reference UWLU77379