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#21C;4'-(DIFLUOROMETHYLENE)-2,2,6,6-TETRAMETHYL-5-(TRIFLUOROMETHYL)-SPIRO-[CYCLOHEXANE-1,8'-[4H,8H]-[1,2,3]-TRIAZOLO-[1,5-C]-[1,3]-THIAZEPANE]-5'-CARBONITRILE

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#21C;4'-(DIFLUOROMETHYLENE)-2,2,6,6-TETRAMETHYL-5-(TRIFLUOROMETHYL)-SPIRO-[CYCLOHEXANE-1,8'-[4H,8H]-[1,2,3]-TRIAZOLO-[1,5-C]-[1,3]-THIAZEPANE]-5'-CARBONITRILE
SpectraBase Compound ID 567KfeNQOZi
InChI InChI=1S/C18H21F5N4S/c1-14(2)6-5-7-15(3,4)17(14)27-11(8-25-26-27)12(13(19)20)16(9-24,10-28-17)18(21,22)23/h8H,5-7,10H2,1-4H3
InChIKey XHFCQHMEWMEROW-UHFFFAOYSA-N
Mol Weight 420.45 g/mol
Molecular Formula C18H21F5N4S
Exact Mass 420.140709 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FsaufrFHk9z
Name #21C;4'-(DIFLUOROMETHYLENE)-2,2,6,6-TETRAMETHYL-5-(TRIFLUOROMETHYL)-SPIRO-[CYCLOHEXANE-1,8'-[4H,8H]-[1,2,3]-TRIAZOLO-[1,5-C]-[1,3]-THIAZEPANE]-5'-CARBONITRILE
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H21F5N4S
InChI InChI=1S/C18H21F5N4S/c1-14(2)6-5-7-15(3,4)17(14)27-11(8-25-26-27)12(13(19)20)16(9-24,10-28-17)18(21,22)23/h8H,5-7,10H2,1-4H3
InChIKey XHFCQHMEWMEROW-UHFFFAOYSA-N
Literature Reference Author H.GIERA,R.HUISGEN,K.POLBORN
Literature Reference Citation EUR.J.ORG.CHEM.,3781(2005)
Molecular Weight 420.444 g/mol
Sample ID 30413
Solvent CDCl3