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#61B;MAJOR+MINOR;[(3-[(1S,4S,5R)-4-[4-(HYDROXYMETHYL)-PHENYL]-3-(TRIFLUOROMETHYLSULFONYL)-3-AZABICYCLO-[3.1.0]-HEXAN-1-YL]-5,6-DIHYDROPYRIDIN-1(2H)-(ISOXAZOL-5

View entire compound with spectra: 1 NMR

#61B;MAJOR+MINOR;[(3-[(1S,4S,5R)-4-[4-(HYDROXYMETHYL)-PHENYL]-3-(TRIFLUOROMETHYLSULFONYL)-3-AZABICYCLO-[3.1.0]-HEXAN-1-YL]-5,6-DIHYDROPYRIDIN-1(2H)-(ISOXAZOL-5
SpectraBase Compound ID Hch7IX08VMZ
InChI InChI=1S/2C22H22F3N3O5S/c2*23-22(24,25)34(31,32)28-13-21(10-17(21)19(28)15-5-3-14(12-29)4-6-15)16-2-1-9-27(11-16)20(30)18-7-8-26-33-18/h2*2-8,17,19,29H,1,9-13H2/t2*17-,19+,21+/m00/s1
InChIKey DROUKDWQTHEUBY-RRMCILSDSA-N
Mol Weight 994.98 g/mol
Molecular Formula C44H44F6N6O10S2
Exact Mass 994.246453 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HnyTVZkQ3xx
Name #61B;MAJOR+MINOR;[(3-[(1S,4S,5R)-4-[4-(HYDROXYMETHYL)-PHENYL]-3-(TRIFLUOROMETHYLSULFONYL)-3-AZABICYCLO-[3.1.0]-HEXAN-1-YL]-5,6-DIHYDROPYRIDIN-1(2H)-(ISOXAZOL-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H44F6N6O10S2
InChI InChI=1S/2C22H22F3N3O5S/c2*23-22(24,25)34(31,32)28-13-21(10-17(21)19(28)15-5-3-14(12-29)4-6-15)16-2-1-9-27(11-16)20(30)18-7-8-26-33-18/h2*2-8,17,19,29H,1,9-13H2/t2*17-,19+,21+/m00/s1
InChIKey DROUKDWQTHEUBY-RRMCILSDSA-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 994.978 g/mol
Solvent CD3OD
Source File Reference UWLU77374