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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

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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
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iq1xCn9MalR
Name 1,1,3,3-TETRAMETHYL-2-OXO-9-(2-OXOPROPYLIDENE)-7,8-BIS-(TRIFLUOROMETHYL)-[5]-THIA-[10]-AZASPIRO-[3.6]-DECANE-7-CARBONITRILE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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
Literature Reference Author H.GIERA,R.HUISGEN,K.POLBORN
Literature Reference Citation EUR.J.ORG.CHEM.,3781(2005)
Molecular Weight 442.419 g/mol
Sample ID 30408
Solvent CDCl3