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3,5-Di-t-Butyl-.alpha.,.alpha.-bis(2-oxo-2H-cyclohepta[b]furan-3-yl)1,4-benzoquinonemethides
SpectraBase Compound ID 4dE7reXGzbt
InChI InChI=1S/C33H30O5/c1-32(2,3)22-17-19(18-23(29(22)34)33(4,5)6)26(27-20-13-9-7-11-15-24(20)37-30(27)35)28-21-14-10-8-12-16-25(21)38-31(28)36/h7-18H,1-6H3
InChIKey HOQPCATZERRFBH-UHFFFAOYSA-N
Mol Weight 506.6 g/mol
Molecular Formula C33H30O5
Exact Mass 506.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8AZw1VeLCIe
Name 3,5-Di-t-Butyl-.alpha.,.alpha.-bis(2-oxo-2H-cyclohepta[b]furan-3-yl)1,4-benzoquinonemethides
Comments Less than 3 mono-isotopic peaks
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Formula C33H30O5
InChI InChI=1S/C33H30O5/c1-32(2,3)22-17-19(18-23(29(22)34)33(4,5)6)26(27-20-13-9-7-11-15-24(20)37-30(27)35)28-21-14-10-8-12-16-25(21)38-31(28)36/h7-18H,1-6H3
InChIKey HOQPCATZERRFBH-UHFFFAOYSA-N
Molecular Weight 506.598 g/mol
SMILES C(C=1C(OC=2C1C=CC=CC2)=O)(C=1C(OC=2C1C=CC=CC2)=O)=C1C=C(C(C)(C)C)C(C(=C1)C(C)(C)C)=O
SPLASH splash10-001i-9000020000-f079b8116c3077f1cb74
Source of Spectrum AJ-76-2042-11
Wiley ID 1577374