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#64C;(S)-2-[[(2R,5S)-5-[4-(HYDROXYMETHYL)-PHENYL]-1-(TRIFLUOROMETHYLSULFONYL)-2,5-DIHYDRO-1H-PYRROL-2-YL]-METHYL]-N-(PYRIDIN-3-YL)-5,6-DIHYDROPYRIDINE-1(2H)-CA

View entire compound with spectra: 1 NMR

#64C;(S)-2-[[(2R,5S)-5-[4-(HYDROXYMETHYL)-PHENYL]-1-(TRIFLUOROMETHYLSULFONYL)-2,5-DIHYDRO-1H-PYRROL-2-YL]-METHYL]-N-(PYRIDIN-3-YL)-5,6-DIHYDROPYRIDINE-1(2H)-CA
SpectraBase Compound ID 2LgS74I75Cn
InChI InChI=1S/C24H25F3N4O4S/c25-24(26,27)36(34,35)31-21(10-11-22(31)18-8-6-17(16-32)7-9-18)14-20-5-1-2-13-30(20)23(33)29-19-4-3-12-28-15-19/h1,3-12,15,20-22,32H,2,13-14,16H2,(H,29,33)/t20-,21+,22+/m1/s1
InChIKey ZFELFOUVYUJUBZ-FSSWDIPSSA-N
Mol Weight 522.54 g/mol
Molecular Formula C24H25F3N4O4S
Exact Mass 522.154861 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HTfsEBkhJIn
Name #64C;(S)-2-[[(2R,5S)-5-[4-(HYDROXYMETHYL)-PHENYL]-1-(TRIFLUOROMETHYLSULFONYL)-2,5-DIHYDRO-1H-PYRROL-2-YL]-METHYL]-N-(PYRIDIN-3-YL)-5,6-DIHYDROPYRIDINE-1(2H)-CA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H25F3N4O4S
InChI InChI=1S/C24H25F3N4O4S/c25-24(26,27)36(34,35)31-21(10-11-22(31)18-8-6-17(16-32)7-9-18)14-20-5-1-2-13-30(20)23(33)29-19-4-3-12-28-15-19/h1,3-12,15,20-22,32H,2,13-14,16H2,(H,29,33)/t20-,21+,22+/m1/s1
InChIKey ZFELFOUVYUJUBZ-FSSWDIPSSA-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 522.542 g/mol
Solvent CD3OD
Source File Reference UWLU77382