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#63D;(S)-[3-[[5-[4-(HYDROXYMETHYL)-PHENYL]-1-(TRIFLUOROMETHYLSULFONYL)-2,5-DIHYDRO-1H-PYRROL-3-YL]-ETHYNYL]-5,6-DIHYDROPYRIDINE-1(2H)-YL]-(MORPHOLINO)-METHANON

View entire compound with spectra: 1 NMR

#63D;(S)-[3-[[5-[4-(HYDROXYMETHYL)-PHENYL]-1-(TRIFLUOROMETHYLSULFONYL)-2,5-DIHYDRO-1H-PYRROL-3-YL]-ETHYNYL]-5,6-DIHYDROPYRIDINE-1(2H)-YL]-(MORPHOLINO)-METHANON
SpectraBase Compound ID EByZJBuWRB8
InChI InChI=1S/C24H26F3N3O5S/c25-24(26,27)36(33,34)30-16-20(14-22(30)21-7-5-19(17-31)6-8-21)4-3-18-2-1-9-29(15-18)23(32)28-10-12-35-13-11-28/h2,5-8,14,22,31H,1,9-13,15-17H2/t22-/m0/s1
InChIKey OMGKNGZCKFIJAY-QFIPXVFZSA-N
Mol Weight 525.54 g/mol
Molecular Formula C24H26F3N3O5S
Exact Mass 525.154527 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hde4NSB737B
Name #63D;(S)-[3-[[5-[4-(HYDROXYMETHYL)-PHENYL]-1-(TRIFLUOROMETHYLSULFONYL)-2,5-DIHYDRO-1H-PYRROL-3-YL]-ETHYNYL]-5,6-DIHYDROPYRIDINE-1(2H)-YL]-(MORPHOLINO)-METHANON
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H26F3N3O5S
InChI InChI=1S/C24H26F3N3O5S/c25-24(26,27)36(33,34)30-16-20(14-22(30)21-7-5-19(17-31)6-8-21)4-3-18-2-1-9-29(15-18)23(32)28-10-12-35-13-11-28/h2,5-8,14,22,31H,1,9-13,15-17H2/t22-/m0/s1
InChIKey OMGKNGZCKFIJAY-QFIPXVFZSA-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 525.543 g/mol
Solvent CD3OD
Source File Reference UWLU77380