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3',5',7,9-TETRA-(TERT.-BUTYL)-5-METHYLSPIRO-[1,3-BENZOXATHIEPIN-4(5H),1'-CYCLOHEXA-[2,4]-DIENE]-2,2'-DIONE
SpectraBase Compound ID 5dvTGA62NxB
InChI InChI=1S/C31H44O3S/c1-18-21-14-19(27(2,3)4)15-22(29(8,9)10)24(21)34-26(33)35-31(18)17-20(28(5,6)7)16-23(25(31)32)30(11,12)13/h14-18H,1-13H3
InChIKey KYODWMVADCOSIH-UHFFFAOYSA-N
Mol Weight 496.8 g/mol
Molecular Formula C31H44O3S
Exact Mass 496.301116 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G5NFK7VlFT1
Name 3',5',7,9-TETRA-(TERT.-BUTYL)-5-METHYLSPIRO-[1,3-BENZOXATHIEPIN-4(5H),1'-CYCLOHEXA-[2,4]-DIENE]-2,2'-DIONE
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Formula C31H44O3S
InChI InChI=1S/C31H44O3S/c1-18-21-14-19(27(2,3)4)15-22(29(8,9)10)24(21)34-26(33)35-31(18)17-20(28(5,6)7)16-23(25(31)32)30(11,12)13/h14-18H,1-13H3
InChIKey KYODWMVADCOSIH-UHFFFAOYSA-N
Literature Reference Author S.KOLLY,H.MEIER,T.WINKLER
Literature Reference Citation HELV.CHIM.ACTA,75,729(1992)
Literature Reference DOI 10.1002/hlca.19920750308
Molecular Weight 496.749 g/mol
Solvent CDCl3
Source File Reference UWCS7061