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#60B;(S)-[3-[5-[4-(HYDROXYMETHYL)-PHENYL]-1-(TRIFLUOROMETHYLSULFONYL)-2,5-DIHYDRO-1H-PYRROL-3-YL]-5,6-DIHYDROPYRIDIN-1(2H)-YL]-(ISOXAZOL-5-YL)-METHANONE

View entire compound with spectra: 1 NMR

#60B;(S)-[3-[5-[4-(HYDROXYMETHYL)-PHENYL]-1-(TRIFLUOROMETHYLSULFONYL)-2,5-DIHYDRO-1H-PYRROL-3-YL]-5,6-DIHYDROPYRIDIN-1(2H)-YL]-(ISOXAZOL-5-YL)-METHANONE
SpectraBase Compound ID 19gzOCmlu4i
InChI InChI=1S/C21H20F3N3O5S/c22-21(23,24)33(30,31)27-12-17(10-18(27)15-5-3-14(13-28)4-6-15)16-2-1-9-26(11-16)20(29)19-7-8-25-32-19/h2-8,10,18,28H,1,9,11-13H2/t18-/m0/s1
InChIKey ZPEFTDPZEUMLRL-SFHVURJKSA-N
Mol Weight 483.46 g/mol
Molecular Formula C21H20F3N3O5S
Exact Mass 483.107576 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8CGugLFX8Xo
Name #60B;(S)-[3-[5-[4-(HYDROXYMETHYL)-PHENYL]-1-(TRIFLUOROMETHYLSULFONYL)-2,5-DIHYDRO-1H-PYRROL-3-YL]-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 C21H20F3N3O5S
InChI InChI=1S/C21H20F3N3O5S/c22-21(23,24)33(30,31)27-12-17(10-18(27)15-5-3-14(13-28)4-6-15)16-2-1-9-26(11-16)20(29)19-7-8-25-32-19/h2-8,10,18,28H,1,9,11-13H2/t18-/m0/s1
InChIKey ZPEFTDPZEUMLRL-SFHVURJKSA-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 483.462 g/mol
Solvent CD3OD
Source File Reference UWLU77367