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APTLSKQBBJGFFG-UHFFFAOYSA-L

View entire compound with spectra: 1 NMR

APTLSKQBBJGFFG-UHFFFAOYSA-L
SpectraBase Compound ID wzRdlyUyaM
InChI InChI=1S/C14H17IN4.2CHF3O3S/c1-16-8-10-18(12-16)15(14-6-4-3-5-7-14)19-11-9-17(2)13-19;2*2-1(3,4)8(5,6)7/h3-13H,1-2H3;2*(H,5,6,7)/q+2;;/p-2
InChIKey APTLSKQBBJGFFG-UHFFFAOYSA-L
Mol Weight 666.35 g/mol
Molecular Formula C16H17F6IN4O6S2
Exact Mass 665.953841 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2njsyrAzbIu
Name APTLSKQBBJGFFG-UHFFFAOYSA-L
Compound Number II_C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H17F6IN4O6S2
InChI InChI=1S/C14H17IN4.2CHF3O3S/c1-16-8-10-18(12-16)15(14-6-4-3-5-7-14)19-11-9-17(2)13-19;2*2-1(3,4)8(5,6)7/h3-13H,1-2H3;2*(H,5,6,7)/q+2;;/p-2
InChIKey APTLSKQBBJGFFG-UHFFFAOYSA-L
Literature Reference Author N.S.PIRKULIYEV,V.K.BREL,V.V.ZHDANKIN,N.S.ZEFIROV
Literature Reference Citation RUSS.J.ORG.CHEM.,38,1224(2002)
Literature Reference DOI 10.1023/A:1020990618707
Molecular Weight 666.349 g/mol
Solvent CD3CN
Source File Reference UWMZ9628