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3-(1,1,3,3-Tetramethylbutyl)-5,5-bis(trifluoromethyl)-4-thia-3-azatricyclo[5.2.1.0(2,6)]decane
SpectraBase Compound ID 5BungcL99Jf
InChI InChI=1S/C18H27F6NS/c1-14(2,3)9-15(4,5)25-13-11-7-6-10(8-11)12(13)16(26-25,17(19,20)21)18(22,23)24/h10-13H,6-9H2,1-5H3/t10-,11+,12?,13?/m0/s1
InChIKey RUTWMFXZWYTZRB-ZFDZMSFRSA-N
Mol Weight 403.47 g/mol
Molecular Formula C18H27F6NS
Exact Mass 403.17684 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E3mKgAQHlDJ
Name 3-(1,1,3,3-TETRAMETHYLBUTYL)-5,5-BIS-(TRIFLUOROMETHYL)-4-THIA-3-AZATRICYCLO-[5.2.1.0(2,6)]-DECANE
CAS Registry Number 126542-10-7
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H27F6NS
InChI InChI=1S/C18H27F6NS/c1-14(2,3)9-15(4,5)25-13-11-7-6-10(8-11)12(13)16(26-25,17(19,20)21)18(22,23)24/h10-13H,6-9H2,1-5H3/t10-,11+,12?,13?/m0/s1
InChIKey RUTWMFXZWYTZRB-ZFDZMSFRSA-N
Literature Reference Author A.MAY,H.W.ROESKY,D.STALKE,F.PAUER,G.M.SHELDRICK
Literature Reference Citation CHEM.BER.,123,1475(1990)
Literature Reference DOI 10.1002/cber.19901230705
Solvent CDCl3
Source File Reference UWCS11065