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JRXONBSQYWNQED-RUTFAPCESA-N

View entire compound with spectra: 2 NMR

JRXONBSQYWNQED-RUTFAPCESA-N
SpectraBase Compound ID IQ6xMqZWEjn
InChI InChI=1S/C6H14N2.2CHF3O3S/c7-5-3-1-2-4-6(5)8;2*2-1(3,4)8(5,6)7/h5-6H,1-4,7-8H2;2*(H,5,6,7)/t5-,6+;;
InChIKey JRXONBSQYWNQED-RUTFAPCESA-N
Mol Weight 414.33 g/mol
Molecular Formula C8H16F6N2O6S2
Exact Mass 414.035398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 60L6ZQbarra
Name JRXONBSQYWNQED-RUTFAPCESA-N
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H16F6N2O6S2
InChI InChI=1S/C6H14N2.2CHF3O3S/c7-5-3-1-2-4-6(5)8;2*2-1(3,4)8(5,6)7/h5-6H,1-4,7-8H2;2*(H,5,6,7)/t5-,6+;;
InChIKey JRXONBSQYWNQED-RUTFAPCESA-N
Literature Reference Author M.T.REETZ,J.RUDOLPH,R.MYNOTT
Literature Reference Citation J.AM.CHEM.SOC.,118,4494(1996)
Literature Reference DOI 10.1021/ja954183e
Molecular Weight 414.335 g/mol
Sample ID 55780
Solvent CD3OD