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#36;N-(BUT-3-ENYL)-2-NITRO-N-[(1S,4R)-4-(1,1,1-TRIFLUORO-N-[(S)-1-[4-[[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-HEPTADECAFLUORODECYL)-DIISOPROPYLSILYLOXY]-METHYL]
SpectraBase Compound ID AazYwHRrDl4
InChI InChI=1S/C42H45F20N3O7S2Si/c1-7-9-21-63(73(68,69)33-13-11-10-12-32(33)65(66)67)29-18-19-30(23-29)64(74(70,71)42(60,61)62)31(8-2)28-16-14-27(15-17-28)24-72-75(25(3)4,26(5)6)22-20-34(43,44)35(45,46)36(47,48)37(49,50)38(51,52)39(53,54)40(55,56)41(57,58)59/h7-8,10-19,25-26,29-31H,1-2,9,20-24H2,3-6H3/t29-,30+,31+/m1/s1
InChIKey PNOCJVOWSGBMJW-AYQJTBPPSA-N
Mol Weight 1176.0 g/mol
Molecular Formula C42H45F20N3O7S2Si
Exact Mass 1175.214883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZadwQksXFL
Name #36;N-(BUT-3-ENYL)-2-NITRO-N-[(1S,4R)-4-(1,1,1-TRIFLUORO-N-[(S)-1-[4-[[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-HEPTADECAFLUORODECYL)-DIISOPROPYLSILYLOXY]-METHYL]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H45F20N3O7S2Si
InChI InChI=1S/C42H45F20N3O7S2Si/c1-7-9-21-63(73(68,69)33-13-11-10-12-32(33)65(66)67)29-18-19-30(23-29)64(74(70,71)42(60,61)62)31(8-2)28-16-14-27(15-17-28)24-72-75(25(3)4,26(5)6)22-20-34(43,44)35(45,46)36(47,48)37(49,50)38(51,52)39(53,54)40(55,56)41(57,58)59/h7-8,10-19,25-26,29-31H,1-2,9,20-24H2,3-6H3/t29-,30+,31+/m1/s1
InChIKey PNOCJVOWSGBMJW-AYQJTBPPSA-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 1176.009 g/mol
Solvent CDCl3
Source File Reference UWLU77339