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#38;N-[((1S,4R)-4-[[N-(BUT-3-ENYL)-1,1,1-TRIFLUOROMETHYLSULFONAMIDO]-METHYL]-CYCLOPENT-2-ENY]-METHYL]-N-[(S)-1-[4-[[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-HEPTA
SpectraBase Compound ID 2Std6OJbXkt
InChI InChI=1S/C44H49F20N3O7S2Si/c1-7-9-21-65(76(72,73)44(62,63)64)24-30-14-15-31(23-30)25-66(75(70,71)35-13-11-10-12-34(35)67(68)69)33(8-2)32-18-16-29(17-19-32)26-74-77(27(3)4,28(5)6)22-20-36(45,46)37(47,48)38(49,50)39(51,52)40(53,54)41(55,56)42(57,58)43(59,60)61/h7-8,10-19,27-28,30-31,33H,1-2,9,20-26H2,3-6H3/t30-,31+,33-/m0/s1
InChIKey NOWQVNGBIYJTNV-PZWMIYICSA-N
Mol Weight 1204.1 g/mol
Molecular Formula C44H49F20N3O7S2Si
Exact Mass 1203.246183 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6cHfWc8jhtH
Name #38;N-[((1S,4R)-4-[[N-(BUT-3-ENYL)-1,1,1-TRIFLUOROMETHYLSULFONAMIDO]-METHYL]-CYCLOPENT-2-ENY]-METHYL]-N-[(S)-1-[4-[[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-HEPTA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H49F20N3O7S2Si
InChI InChI=1S/C44H49F20N3O7S2Si/c1-7-9-21-65(76(72,73)44(62,63)64)24-30-14-15-31(23-30)25-66(75(70,71)35-13-11-10-12-34(35)67(68)69)33(8-2)32-18-16-29(17-19-32)26-74-77(27(3)4,28(5)6)22-20-36(45,46)37(47,48)38(49,50)39(51,52)40(53,54)41(55,56)42(57,58)43(59,60)61/h7-8,10-19,27-28,30-31,33H,1-2,9,20-26H2,3-6H3/t30-,31+,33-/m0/s1
InChIKey NOWQVNGBIYJTNV-PZWMIYICSA-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 1204.063 g/mol
Solvent CDCl3
Source File Reference UWLU77340