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1,1,3,3-TETRAMETHYL-2-OXO-9-(2-OXOPROPYLIDENE)-7,8-BIS-(TRIFLUOROMETHYL)-[5]-THIA-[10]-AZASPIRO-[3.6]-DECANE-7-CARBONITRILE

View entire compound with spectra: 2 NMR, and 1 MS (GC)

1,1,3,3-TETRAMETHYL-2-OXO-9-(2-OXOPROPYLIDENE)-7,8-BIS-(TRIFLUOROMETHYL)-[5]-THIA-[10]-AZASPIRO-[3.6]-DECANE-7-CARBONITRILE
SpectraBase Compound ID DraIWY3nhil
InChI InChI=1S/C18H20F6N2O2S/c1-9(27)6-10-11(16(19,20)21)15(7-25,18(22,23)24)8-29-17(26-10)13(2,3)12(28)14(17,4)5/h6,11,26H,8H2,1-5H3/b10-6-/t11?,15-/m1/s1
InChIKey NAORLHDWDHUYQF-UYNSCEBMSA-N
Mol Weight 442.42 g/mol
Molecular Formula C18H20F6N2O2S
Exact Mass 442.114968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHpDFgTfXTH
Name (S)-1,1,3,3-Tetramethyl-2-oxo-9-(2'-oxopropylidene)-7,8-bis(trifluoromethyl)-[5]-thia-[10]aza-spiro[3.6]decane-7-carbonitrile
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Formula C18H20F6N2O2S
InChI InChI=1S/C18H20F6N2O2S/c1-9(27)6-10-11(16(19,20)21)15(7-25,18(22,23)24)8-29-17(26-10)13(2,3)12(28)14(17,4)5/h6,11,26H,8H2,1-5H3/b10-6-/t11?,15-/m1/s1
InChIKey NAORLHDWDHUYQF-UYNSCEBMSA-N
Molecular Weight 442.420 g/mol
SMILES N1\C(C([C@@](CSC11C(C)(C)C(C1(C)C)=O)(C(F)(F)F)C#N)C(F)(F)F)=C/C(=O)C
SPLASH splash10-00di-0119000000-01df91f80f450e33579b
Source of Spectrum H-2005-3788-14
Synonyms (7S,9Z)-1,1,3,3-tetramethyl-2-oxo-9-(2-oxopropylidene)-7,8-bis(trifluoromethyl)-5-thia-10-azaspiro[3.6]decane-7-carbonitrile 1,1,3,3-Tetramethyl-2-oxo-9-(2'-oxopropylidene)-7,8-bis(trifluoromethyl)-[5]-thia-[10]aza-spiro[3.6]decane-7-carbonitrile
Wiley ID 1563161