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3',4A',6'8'-TETRA-TERT.-BUTYL-4A',10A'-DIHYDROSPIRO-[4H-3,1-BENZOXATHIIN-2,1'(2'H)-DIBENZODIOXIN]-2'-ONE
SpectraBase Compound ID 1JsjTiI2SCN
InChI InChI=1S/C35H46O4S/c1-30(2,3)22-17-23(31(4,5)6)27-25(18-22)38-29-34(39-27,33(10,11)12)19-24(32(7,8)9)28(36)35(29)37-20-21-15-13-14-16-26(21)40-35/h13-19,29H,20H2,1-12H3
InChIKey OEPPVYPQXVTXIF-UHFFFAOYSA-N
Mol Weight 562.8 g/mol
Molecular Formula C35H46O4S
Exact Mass 562.311681 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J8AONDRBK77
Name 3',4A',6'8'-TETRA-TERT.-BUTYL-4A',10A'-DIHYDROSPIRO-[4H-3,1-BENZOXATHIIN-2,1'(2'H)-DIBENZODIOXIN]-2'-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H46O4S
InChI InChI=1S/C35H46O4S/c1-30(2,3)22-17-23(31(4,5)6)27-25(18-22)38-29-34(39-27,33(10,11)12)19-24(32(7,8)9)28(36)35(29)37-20-21-15-13-14-16-26(21)40-35/h13-19,29H,20H2,1-12H3
InChIKey OEPPVYPQXVTXIF-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 562.808 g/mol
Solvent CDCl3
Source File Reference UWED11068