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O-ETHYL-2,2,3,3-TETRACYANOSPIRO-(BICYCLO-[2.2.1]-HEPT-5-ENE-7,1'-CYCLOPROPANE)-1-THIOCARBOXYLATE
SpectraBase Compound ID L22kii0zzOp
InChI InChI=1S/2C16H12N4OS/c2*1-2-21-12(22)16-4-3-11(13(16)5-6-13)14(7-17,8-18)15(16,9-19)10-20/h2*3-4,11H,2,5-6H2,1H3/t2*11-,16-/m00/s1
InChIKey TZNPHYYZJQBIAA-VVNMLSQTSA-N
Mol Weight 616.72 g/mol
Molecular Formula C32H24N8O2S2
Exact Mass 616.146364 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8I8eVJMdy0E
Name O-ETHYL-2,2,3,3-TETRACYANOSPIRO-(BICYCLO-[2.2.1]-HEPT-5-ENE-7,1'-CYCLOPROPANE)-1-THIOCARBOXYLATE
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H24N8O2S2
InChI InChI=1S/2C16H12N4OS/c2*1-2-21-12(22)16-4-3-11(13(16)5-6-13)14(7-17,8-18)15(16,9-19)10-20/h2*3-4,11H,2,5-6H2,1H3/t2*11-,16-/m00/s1
InChIKey TZNPHYYZJQBIAA-VVNMLSQTSA-N
Literature Reference Author B.FOEHLISCH,D.A.BAKR,P.FISCHER
Literature Reference Citation J.ORG.CHEM.,67,3682(2002)
Literature Reference DOI 10.1021/jo011087p
Molecular Weight 616.715 g/mol
Solvent CD3CN
Source File Reference UWLU25704