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(R)-6-(HYDROXYMETHYL)-N-(PYRIDIN-3-YL)-1'-(TRIFLUOROMETHYLSULFONYL)-1',2',5,5',6,6'-HEXAHYDRO-3,3'-BIPYRIDINE-1(2H)-CARBOXAMIDE

View entire compound with spectra: 1 NMR

(R)-6-(HYDROXYMETHYL)-N-(PYRIDIN-3-YL)-1'-(TRIFLUOROMETHYLSULFONYL)-1',2',5,5',6,6'-HEXAHYDRO-3,3'-BIPYRIDINE-1(2H)-CARBOXAMIDE
SpectraBase Compound ID DR2t24qSK63
InChI InChI=1S/C18H21F3N4O4S/c19-18(20,21)30(28,29)24-8-2-3-13(10-24)14-5-6-16(12-26)25(11-14)17(27)23-15-4-1-7-22-9-15/h1,3-5,7,9,16,26H,2,6,8,10-12H2,(H,23,27)/t16-/m1/s1
InChIKey QJDALVOXVROHMJ-MRXNPFEDSA-N
Mol Weight 446.45 g/mol
Molecular Formula C18H21F3N4O4S
Exact Mass 446.123561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CTEObL7ay8N
Name (R)-6-(HYDROXYMETHYL)-N-(PYRIDIN-3-YL)-1'-(TRIFLUOROMETHYLSULFONYL)-1',2',5,5',6,6'-HEXAHYDRO-3,3'-BIPYRIDINE-1(2H)-CARBOXAMIDE
Compound Number 67C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H21F3N4O4S
InChI InChI=1S/C18H21F3N4O4S/c19-18(20,21)30(28,29)24-8-2-3-13(10-24)14-5-6-16(12-26)25(11-14)17(27)23-15-4-1-7-22-9-15/h1,3-5,7,9,16,26H,2,6,8,10-12H2,(H,23,27)/t16-/m1/s1
InChIKey QJDALVOXVROHMJ-MRXNPFEDSA-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 446.444 g/mol
Solvent CD3OD
Source File Reference UWLU77386