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#69C;(R)-6-(HYDROXYMETHYL)-N-(PYRIDIN-3-YL)-3-[[1-(TRIFLUOROMETHYLSULFONYL)-1,2,5,6-TETRAHYDROYRIDIN-3-YL]-ETHYNYL-5,6-DIHYDROPYRIDINE-1(2H)-CARBOXAMIDE

View entire compound with spectra: 1 NMR

#69C;(R)-6-(HYDROXYMETHYL)-N-(PYRIDIN-3-YL)-3-[[1-(TRIFLUOROMETHYLSULFONYL)-1,2,5,6-TETRAHYDROYRIDIN-3-YL]-ETHYNYL-5,6-DIHYDROPYRIDINE-1(2H)-CARBOXAMIDE
SpectraBase Compound ID 8U9KqarMd20
InChI InChI=1S/C20H21F3N4O4S/c21-20(22,23)32(30,31)26-10-2-3-15(12-26)5-6-16-7-8-18(14-28)27(13-16)19(29)25-17-4-1-9-24-11-17/h1,3-4,7,9,11,18,28H,2,8,10,12-14H2,(H,25,29)/t18-/m1/s1
InChIKey SUTDFSGGEZNCHY-GOSISDBHSA-N
Mol Weight 470.47 g/mol
Molecular Formula C20H21F3N4O4S
Exact Mass 470.123561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7nNbnB00XkZ
Name #69C;(R)-6-(HYDROXYMETHYL)-N-(PYRIDIN-3-YL)-3-[[1-(TRIFLUOROMETHYLSULFONYL)-1,2,5,6-TETRAHYDROYRIDIN-3-YL]-ETHYNYL-5,6-DIHYDROPYRIDINE-1(2H)-CARBOXAMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21F3N4O4S
InChI InChI=1S/C20H21F3N4O4S/c21-20(22,23)32(30,31)26-10-2-3-15(12-26)5-6-16-7-8-18(14-28)27(13-16)19(29)25-17-4-1-9-24-11-17/h1,3-4,7,9,11,18,28H,2,8,10,12-14H2,(H,25,29)/t18-/m1/s1
InChIKey SUTDFSGGEZNCHY-GOSISDBHSA-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 470.466 g/mol
Solvent CD3OD
Source File Reference UWLU77393