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N-NITROBENZIMIDAZOLIUM-TRIFLATE;NBT

View entire compound with spectra: 1 NMR

N-NITROBENZIMIDAZOLIUM-TRIFLATE;NBT
SpectraBase Compound ID Cc4hISwcIPn
InChI InChI=1S/2C7H5N3O2.2CHF3O3S/c2*11-10(12)5-1-2-6-7(3-5)9-4-8-6;2*2-1(3,4)8(5,6)7/h2*1-4H,(H,8,9);2*(H,5,6,7)
InChIKey JGRHLSRVIXGYIO-UHFFFAOYSA-N
Mol Weight 626.41 g/mol
Molecular Formula C16H12F6N6O10S2
Exact Mass 625.996052 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HrKiIYOAfxW
Name N-NITROBENZIMIDAZOLIUM-TRIFLATE;NBT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H12F6N6O10S2
InChI InChI=1S/2C7H5N3O2.2CHF3O3S/c2*11-10(12)5-1-2-6-7(3-5)9-4-8-6;2*2-1(3,4)8(5,6)7/h2*1-4H,(H,8,9);2*(H,5,6,7)
InChIKey JGRHLSRVIXGYIO-UHFFFAOYSA-N
Literature Reference Author M.SEKINE,A.OHKUBO,K.SEIO
Literature Reference Citation J.ORG.CHEM.,68,5478(2003)
Literature Reference DOI 10.1021/jo034204k
Molecular Weight 626.416 g/mol
Solvent DMSO
Source File Reference UWVN25331