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#21A;4'-(DIFLUOROMETHYLENE)-2,2,4,4-TETRAMETHYL-3-OXO-5'-TRIFLUOROMETHYLSPIRO-[CYCLOBUTANE-1,8'-[4H,8H]-[1,2,3]-TRIAZOLO-[1,5-C]-[1,3]-THIAZEPANE]-5'-CARBONITR

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#21A;4'-(DIFLUOROMETHYLENE)-2,2,4,4-TETRAMETHYL-3-OXO-5'-TRIFLUOROMETHYLSPIRO-[CYCLOBUTANE-1,8'-[4H,8H]-[1,2,3]-TRIAZOLO-[1,5-C]-[1,3]-THIAZEPANE]-5'-CARBONITR
SpectraBase Compound ID DQBOeaiWVKY
InChI InChI=1S/C16H15F5N4OS/c1-12(2)11(26)13(3,4)15(12)25-8(5-23-24-25)9(10(17)18)14(6-22,7-27-15)16(19,20)21/h5H,7H2,1-4H3
InChIKey BWHRMPYHVOAUHS-UHFFFAOYSA-N
Mol Weight 406.38 g/mol
Molecular Formula C16H15F5N4OS
Exact Mass 406.088673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C9mSEbXgRGi
Name #21A;4'-(DIFLUOROMETHYLENE)-2,2,4,4-TETRAMETHYL-3-OXO-5'-TRIFLUOROMETHYLSPIRO-[CYCLOBUTANE-1,8'-[4H,8H]-[1,2,3]-TRIAZOLO-[1,5-C]-[1,3]-THIAZEPANE]-5'-CARBONITR
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15F5N4OS
InChI InChI=1S/C16H15F5N4OS/c1-12(2)11(26)13(3,4)15(12)25-8(5-23-24-25)9(10(17)18)14(6-22,7-27-15)16(19,20)21/h5H,7H2,1-4H3
InChIKey BWHRMPYHVOAUHS-UHFFFAOYSA-N
Literature Reference Author H.GIERA,R.HUISGEN,K.POLBORN
Literature Reference Citation EUR.J.ORG.CHEM.,3781(2005)
Molecular Weight 406.373 g/mol
Sample ID 30411
Solvent CDCl3