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(S)-[3-[5-[4-(HYDROXYMETHYL)-PHENYL]-1-(TRIFLUOROMETHYLSULFONYL)-2,5-DIHYDRO-1H-PYRROL-3-YL]-5,6-DIHYDROPYRIDIN-1(2H)-YL]-(MORPHOLINO)-METHANONE

View entire compound with spectra: 1 NMR

(S)-[3-[5-[4-(HYDROXYMETHYL)-PHENYL]-1-(TRIFLUOROMETHYLSULFONYL)-2,5-DIHYDRO-1H-PYRROL-3-YL]-5,6-DIHYDROPYRIDIN-1(2H)-YL]-(MORPHOLINO)-METHANONE
SpectraBase Compound ID LKLErnxLq1T
InChI InChI=1S/C22H26F3N3O5S/c23-22(24,25)34(31,32)28-14-19(12-20(28)17-5-3-16(15-29)4-6-17)18-2-1-7-27(13-18)21(30)26-8-10-33-11-9-26/h2-6,12,20,29H,1,7-11,13-15H2/t20-/m0/s1
InChIKey VKPZRDKLBGZPIW-FQEVSTJZSA-N
Mol Weight 501.52 g/mol
Molecular Formula C22H26F3N3O5S
Exact Mass 501.154527 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Klcbl02VAPK
Name (S)-[3-[5-[4-(HYDROXYMETHYL)-PHENYL]-1-(TRIFLUOROMETHYLSULFONYL)-2,5-DIHYDRO-1H-PYRROL-3-YL]-5,6-DIHYDROPYRIDIN-1(2H)-YL]-(MORPHOLINO)-METHANONE
Compound Number 60D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26F3N3O5S
InChI InChI=1S/C22H26F3N3O5S/c23-22(24,25)34(31,32)28-14-19(12-20(28)17-5-3-16(15-29)4-6-17)18-2-1-7-27(13-18)21(30)26-8-10-33-11-9-26/h2-6,12,20,29H,1,7-11,13-15H2/t20-/m0/s1
InChIKey VKPZRDKLBGZPIW-FQEVSTJZSA-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 501.521 g/mol
Solvent CD3OD
Source File Reference UWLU77371