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#44;N-[(1R,4S)-4-[N-(BUT-3-ENYL)-1,1,1-TRIFLUOROMETHYLSULFONAMIDO]-CYCLOPENT-2-ENYL]-N-[(R)-1-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-HEPTADECAFLUORODECYL)-DIIS
SpectraBase Compound ID DRbfgJoekXm
InChI InChI=1S/C37H43F20N3O7S2Si/c1-7-9-18-58(69(65,66)37(55,56)57)24-15-16-25(20-24)59(68(63,64)28-14-11-10-13-27(28)60(61)62)26(12-8-2)21-67-70(22(3)4,23(5)6)19-17-29(38,39)30(40,41)31(42,43)32(44,45)33(46,47)34(48,49)35(50,51)36(52,53)54/h7-8,10-11,13-16,22-26H,1-2,9,12,17-21H2,3-6H3/t24-,25+,26-/m1/s1
InChIKey MCBZWKJJIRTKAG-UODIDJSMSA-N
Mol Weight 1113.9 g/mol
Molecular Formula C37H43F20N3O7S2Si
Exact Mass 1113.199233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6YSZ04ok1gu
Name #44;N-[(1R,4S)-4-[N-(BUT-3-ENYL)-1,1,1-TRIFLUOROMETHYLSULFONAMIDO]-CYCLOPENT-2-ENYL]-N-[(R)-1-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-HEPTADECAFLUORODECYL)-DIIS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H43F20N3O7S2Si
InChI InChI=1S/C37H43F20N3O7S2Si/c1-7-9-18-58(69(65,66)37(55,56)57)24-15-16-25(20-24)59(68(63,64)28-14-11-10-13-27(28)60(61)62)26(12-8-2)21-67-70(22(3)4,23(5)6)19-17-29(38,39)30(40,41)31(42,43)32(44,45)33(46,47)34(48,49)35(50,51)36(52,53)54/h7-8,10-11,13-16,22-26H,1-2,9,12,17-21H2,3-6H3/t24-,25+,26-/m1/s1
InChIKey MCBZWKJJIRTKAG-UODIDJSMSA-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 1113.938 g/mol
Solvent CDCl3
Source File Reference UWLU77347