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#69B;(R)-[6-(HYDROXYMETHYL)-3-[1-(TRIFLUOROMETHYLSULFONYL)-1,2,5,6-TETRAHYDROPYRIDIN-3-YL]-ETHYNYL-5,6-DIHYDROPYRIDIN-1(2H)-YL]-(ISOXAZOL-5-YL)-METHANONE

View entire compound with spectra: 1 NMR

#69B;(R)-[6-(HYDROXYMETHYL)-3-[1-(TRIFLUOROMETHYLSULFONYL)-1,2,5,6-TETRAHYDROPYRIDIN-3-YL]-ETHYNYL-5,6-DIHYDROPYRIDIN-1(2H)-YL]-(ISOXAZOL-5-YL)-METHANONE
SpectraBase Compound ID M8crr9MD4Y
InChI InChI=1S/C18H18F3N3O5S/c19-18(20,21)30(27,28)23-9-1-2-13(10-23)3-4-14-5-6-15(12-25)24(11-14)17(26)16-7-8-22-29-16/h2,5,7-8,15,25H,1,6,9-12H2/t15-/m1/s1
InChIKey FMWCDULCWZEKKL-OAHLLOKOSA-N
Mol Weight 445.41 g/mol
Molecular Formula C18H18F3N3O5S
Exact Mass 445.091926 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GhnACIK11Vq
Name #69B;(R)-[6-(HYDROXYMETHYL)-3-[1-(TRIFLUOROMETHYLSULFONYL)-1,2,5,6-TETRAHYDROPYRIDIN-3-YL]-ETHYNYL-5,6-DIHYDROPYRIDIN-1(2H)-YL]-(ISOXAZOL-5-YL)-METHANONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18F3N3O5S
InChI InChI=1S/C18H18F3N3O5S/c19-18(20,21)30(27,28)23-9-1-2-13(10-23)3-4-14-5-6-15(12-25)24(11-14)17(26)16-7-8-22-29-16/h2,5,7-8,15,25H,1,6,9-12H2/t15-/m1/s1
InChIKey FMWCDULCWZEKKL-OAHLLOKOSA-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 445.413 g/mol
Solvent CD3OD
Source File Reference UWLU77392