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[4-[(2S,5R)-5-[[(S)-(1,2,5,6-TETRAHYDROPYRIDIN-2-YL)-METHYL]-1-(TRIFLUOROMETHYLSULFONYL)-2,5-DIHYDRO-1H-PYRROL-2-YL]-PHENYL]-METHANOL

View entire compound with spectra: 1 NMR

[4-[(2S,5R)-5-[[(S)-(1,2,5,6-TETRAHYDROPYRIDIN-2-YL)-METHYL]-1-(TRIFLUOROMETHYLSULFONYL)-2,5-DIHYDRO-1H-PYRROL-2-YL]-PHENYL]-METHANOL
SpectraBase Compound ID o3X9FxxUjx
InChI InChI=1S/C18H21F3N2O3S/c19-18(20,21)27(25,26)23-16(11-15-3-1-2-10-22-15)8-9-17(23)14-6-4-13(12-24)5-7-14/h1,3-9,15-17,22,24H,2,10-12H2/t15-,16+,17+/m1/s1
InChIKey XKWACUQLVYXACR-IKGGRYGDSA-N
Mol Weight 402.43 g/mol
Molecular Formula C18H21F3N2O3S
Exact Mass 402.122498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4SLdmaf9p5q
Name [4-[(2S,5R)-5-[[(S)-(1,2,5,6-TETRAHYDROPYRIDIN-2-YL)-METHYL]-1-(TRIFLUOROMETHYLSULFONYL)-2,5-DIHYDRO-1H-PYRROL-2-YL]-PHENYL]-METHANOL
Compound Number 64A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H21F3N2O3S
InChI InChI=1S/C18H21F3N2O3S/c19-18(20,21)27(25,26)23-16(11-15-3-1-2-10-22-15)8-9-17(23)14-6-4-13(12-24)5-7-14/h1,3-9,15-17,22,24H,2,10-12H2/t15-,16+,17+/m1/s1
InChIKey XKWACUQLVYXACR-IKGGRYGDSA-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 402.432 g/mol
Solvent CD3OD
Source File Reference UWLU77381