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IBIOX12*HOTF

View entire compound with spectra: 2 NMR

IBIOX12*HOTF
SpectraBase Compound ID Lq37sCyikYF
InChI InChI=1S/C29H49N2O2.CHF3O3S/c1-3-7-11-15-19-28(20-16-12-8-4-1)23-32-26-27-31(25-30(26)28)29(24-33-27)21-17-13-9-5-2-6-10-14-18-22-29;2-1(3,4)8(5,6)7/h25H,1-24H2;(H,5,6,7)/q+1;/p-1
InChIKey XDOUPYZFPCBCMD-UHFFFAOYSA-M
Mol Weight 606.8 g/mol
Molecular Formula C30H49F3N2O5S
Exact Mass 606.331428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8fBxgaSEak
Name IBIOX12*HOTF
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H49F3N2O5S
InChI InChI=1S/C29H49N2O2.CHF3O3S/c1-3-7-11-15-19-28(20-16-12-8-4-1)23-32-26-27-31(25-30(26)28)29(24-33-27)21-17-13-9-5-2-6-10-14-18-22-29;2-1(3,4)8(5,6)7/h25H,1-24H2;(H,5,6,7)/q+1;/p-1
InChIKey XDOUPYZFPCBCMD-UHFFFAOYSA-M
Literature Reference Author G.ALTENHOFF,R.GODDARD,C.W.LEHMANN,F.GLORIUS
Literature Reference Citation J.AM.CHEM.SOC.,126,15195(2004)
Literature Reference DOI 10.1021/ja045349r
Molecular Weight 606.785 g/mol
Solvent CD2Cl2
Source File Reference UWVN31680