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(R)-[6-(HYDROXYMETHYL)-1'-(TRIFLUOROMETHYLSULFONYL)-1',2',5,5',6,6'-HEXAHYDRO-3,3'-BIPYRIDINE-1(2H)-YL]-(ISOXAZOL-5-YL)-METHANONE

View entire compound with spectra: 1 NMR

(R)-[6-(HYDROXYMETHYL)-1'-(TRIFLUOROMETHYLSULFONYL)-1',2',5,5',6,6'-HEXAHYDRO-3,3'-BIPYRIDINE-1(2H)-YL]-(ISOXAZOL-5-YL)-METHANONE
SpectraBase Compound ID 5tR8vAma5W4
InChI InChI=1S/C16H18F3N3O5S/c17-16(18,19)28(25,26)21-7-1-2-11(8-21)12-3-4-13(10-23)22(9-12)15(24)14-5-6-20-27-14/h2-3,5-6,13,23H,1,4,7-10H2/t13-/m1/s1
InChIKey WJZUFUGJLLSNCB-CYBMUJFWSA-N
Mol Weight 421.39 g/mol
Molecular Formula C16H18F3N3O5S
Exact Mass 421.091926 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFMeyiGFiS1
Name (R)-[6-(HYDROXYMETHYL)-1'-(TRIFLUOROMETHYLSULFONYL)-1',2',5,5',6,6'-HEXAHYDRO-3,3'-BIPYRIDINE-1(2H)-YL]-(ISOXAZOL-5-YL)-METHANONE
Compound Number 67B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18F3N3O5S
InChI InChI=1S/C16H18F3N3O5S/c17-16(18,19)28(25,26)21-7-1-2-11(8-21)12-3-4-13(10-23)22(9-12)15(24)14-5-6-20-27-14/h2-3,5-6,13,23H,1,4,7-10H2/t13-/m1/s1
InChIKey WJZUFUGJLLSNCB-CYBMUJFWSA-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 421.391 g/mol
Solvent CD3OD
Source File Reference UWLU77385