#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 Google Search
Mol Weight	406.38 g/mol
Molecular Formula	C16H15F5N4OS
Exact Mass	406.088673 g/mol

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SpectraBase Spectrum ID	2Wuv6PKoN1R
Name	4'-(Difluoromethylene)-2,2,4,4-tetramethyl-3-oxo-5-(trifluoromethyl)-spiro[cyclobutane-1,8'-[4H,8H]-(1,2,3)-triazolo[1,5-c]-(1,3)-thiazepane-5'-carbonitrile
Alternate Name(s)	4-(difluoromethylidene)-1',1',3',3'-tetramethyl-4'-oxo-5-(trifluoromethyl)-5-spiro[6H-triazolo[1,5-c][1,3]thiazepine-8,2'-cyclobutane]carbonitrile 4-(difluoromethylidene)-1',1',3',3'-tetramethyl-4'-oxo-5-(trifluoromethyl)spiro[6H-triazolo[1,5-c][1,3]thiazepine-8,2'-cyclobutane]-5-carbonitrile 4-(difluoromethylene)-1',1',3',3'-tetramethyl-4'-oxo-5-(trifluoromethyl)spiro[6H-triazolo[1,5-c][1,3]thiazepine-8,2'-cyclobutane]-5-carbonitrile 4-[bis(fluoranyl)methylidene]-1',1',3',3'-tetramethyl-4'-oxidanylidene-5-(trifluoromethyl)spiro[6H-[1,2,3]triazolo[1,5-c][1,3]thiazepine-8,2'-cyclobutane]-5-carbonitrile
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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
Molecular Weight	406.375 g/mol
SMILES	C12([n]3c(C(=C(F)F)C(CS2)(C(F)(F)F)C#N)cnn3)C(C)(C)C(C1(C)C)=O
SPLASH	splash10-000i-9014000000-f950b6c0fb92d205e8c4
Source of Spectrum	H-2005-3788-21
Wiley ID	1563158