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IBIOX6*HOTF

View entire compound with spectra: 2 NMR

IBIOX6*HOTF
SpectraBase Compound ID 6kR5QgfsxJX
InChI InChI=1S/C17H25N2O2.CHF3O3S/c1-3-7-16(8-4-1)11-20-14-15-19(13-18(14)16)17(12-21-15)9-5-2-6-10-17;2-1(3,4)8(5,6)7/h13H,1-12H2;(H,5,6,7)/q+1;/p-1
InChIKey FWZZBMADZXTKOL-UHFFFAOYSA-M
Mol Weight 438.46 g/mol
Molecular Formula C18H25F3N2O5S
Exact Mass 438.143628 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GgFj2b7fgpe
Name IBIOX6*HOTF
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H25F3N2O5S
InChI InChI=1S/C17H25N2O2.CHF3O3S/c1-3-7-16(8-4-1)11-20-14-15-19(13-18(14)16)17(12-21-15)9-5-2-6-10-17;2-1(3,4)8(5,6)7/h13H,1-12H2;(H,5,6,7)/q+1;/p-1
InChIKey FWZZBMADZXTKOL-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 438.462 g/mol
Solvent CDCl3
Source File Reference UWVN31677