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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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

#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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6PyebtK55T2
Name 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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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
Molecular Weight 420.446 g/mol
SMILES c12[n](C3(SCC(C2=C(F)F)(C(F)(F)F)C#N)C(CCCC3(C)C)(C)C)nnc1
SPLASH splash10-007c-7219200000-1c606382978e8c6092a9
Source of Spectrum H-2005-3789-21
Synonyms 4-(difluoromethylidene)-1',1',3',3'-tetramethyl-5-(trifluoromethyl)-5-spiro[6H-triazolo[1,5-c][1,3]thiazepine-8,2'-cyclohexane]carbonitrile 4-(difluoromethylidene)-1',1',3',3'-tetramethyl-5-(trifluoromethyl)spiro[6H-triazolo[1,5-c][1,3]thiazepine-8,2'-cyclohexane]-5-carbonitrile 4-[bis(fluoranyl)methylidene]-1',1',3',3'-tetramethyl-5-(trifluoromethyl)spiro[6H-[1,2,3]triazolo[1,5-c][1,3]thiazepine-8,2'-cyclohexane]-5-carbonitrile
Wiley ID 1563156