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IBIOX5*HOTF

View entire compound with spectra: 2 NMR

IBIOX5*HOTF
SpectraBase Compound ID IVee5O92E03
InChI InChI=1S/C15H21N2O2.CHF3O3S/c1-2-6-14(5-1)9-18-12-13-17(11-16(12)14)15(10-19-13)7-3-4-8-15;2-1(3,4)8(5,6)7/h11H,1-10H2;(H,5,6,7)/q+1;/p-1
InChIKey ADKPPCUZGKUCSH-UHFFFAOYSA-M
Mol Weight 410.41 g/mol
Molecular Formula C16H21F3N2O5S
Exact Mass 410.112327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kmny9Jq7ejJ
Name IBIOX5*HOTF
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H21F3N2O5S
InChI InChI=1S/C15H21N2O2.CHF3O3S/c1-2-6-14(5-1)9-18-12-13-17(11-16(12)14)15(10-19-13)7-3-4-8-15;2-1(3,4)8(5,6)7/h11H,1-10H2;(H,5,6,7)/q+1;/p-1
InChIKey ADKPPCUZGKUCSH-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 410.408 g/mol
Solvent CD2Cl2
Source File Reference UWVN31676