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[T.-BU-C=C(ME)CHC(ME)N(AR)]-V=NAR(OTF)
SpectraBase Compound ID 229TzrfPEFF
InChI InChI=1S/C22H33N.C12H17N.CHF3O3S.V/c1-15(2)19-11-10-12-20(16(3)4)21(19)23-18(6)13-17(5)14-22(7,8)9;1-8(2)10-6-5-7-11(9(3)4)12(10)13;2-1(3,4)8(5,6)7;/h10-13,15-16H,1-9H3;5-9H,1-4H3;(H,5,6,7);/q-1;;;+2/p-1/b17-14?,18-13-;;;
InChIKey ZWROZLVAHSWBGV-QCHUIQTHSA-M
Mol Weight 686.79 g/mol
Molecular Formula C35H50F3N2O3SV
Exact Mass 686.293381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FqyafPbF0Qk
Name [T.-BU-C=C(ME)CHC(ME)N(AR)]-V=NAR(OTF)
Compound Number 3OTF
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H50F3N2O3SV
InChI InChI=1S/C22H33N.C12H17N.CHF3O3S.V/c1-15(2)19-11-10-12-20(16(3)4)21(19)23-18(6)13-17(5)14-22(7,8)9;1-8(2)10-6-5-7-11(9(3)4)12(10)13;2-1(3,4)8(5,6)7;/h10-13,15-16H,1-9H3;5-9H,1-4H3;(H,5,6,7);/q-1;;;+2/p-1/b17-14?,18-13-;;;
InChIKey ZWROZLVAHSWBGV-QCHUIQTHSA-M
Literature Reference Author F.BASULI,B.C.BAILEY,D.BROWN,J.TOMASZEWSKI,J.C.HUFFMAN,M.H.BA IK,D.J.MINDIOLA
Literature Reference Citation J.AM.CHEM.SOC.,126,10506(2004)
Literature Reference DOI 10.1021/ja0472376
Molecular Weight 686.790 g/mol
Sample ID 33126
Solvent TOLUENE-D8