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3',5'-DI-TERT.-BUTYLSPIRO-[4H-3,1-BENZOXATHIIN-2,1'-[3',5']-CYCLOHEXADIEN]-2'-ONE
SpectraBase Compound ID 6BJoed3xDod
InChI InChI=1S/C21H26O2S/c1-19(2,3)15-11-16(20(4,5)6)18(22)21(12-15)23-13-14-9-7-8-10-17(14)24-21/h7-12H,13H2,1-6H3
InChIKey RUUIKYNURAPCCK-UHFFFAOYSA-N
Mol Weight 342.5 g/mol
Molecular Formula C21H26O2S
Exact Mass 342.165351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JRld5vIjF8k
Name 3',5'-DI-TERT.-BUTYLSPIRO-[4H-3,1-BENZOXATHIIN-2,1'-[3',5']-CYCLOHEXADIEN]-2'-ONE
CAS Registry Number 124921-74-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O2S
InChI InChI=1S/C21H26O2S/c1-19(2,3)15-11-16(20(4,5)6)18(22)21(12-15)23-13-14-9-7-8-10-17(14)24-21/h7-12H,13H2,1-6H3
InChIKey RUUIKYNURAPCCK-UHFFFAOYSA-N
Literature Reference Author M.SCHMIDT,H.MEIER,H.P.NIEDERMANN,R.MENGEL
Literature Reference Citation CHEM.BER.,123,1143(1990)
Literature Reference DOI 10.1002/cber.19901230530
Molecular Weight 342.496 g/mol
Solvent CDCl3
Source File Reference UWED11065