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2(E)-4,6-Di(tert-butyl)-2-[8-(4-chlorophenylsulfonyloxy)quinolin-(1H)-ylidene]cyclohepta-4,6-diene-1,3-dione
SpectraBase Compound ID 4MJZts5Xn3i
InChI InChI=1S/C30H30ClNO5S/c1-29(2,3)19-16-22(30(4,5)6)28(34)26(24(33)17-19)23-15-10-18-8-7-9-25(27(18)32-23)37-38(35,36)21-13-11-20(31)12-14-21/h7-17,32H,1-6H3/b26-23+
InChIKey FOFSKWPEZUUOGP-WNAAXNPUSA-N
Mol Weight 552.09 g/mol
Molecular Formula C30H30ClNO5S
Exact Mass 551.153322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gWbL7OhGaq
Name 2(E)-4,6-Di(tert-butyl)-2-[8-(4-chlorophenylsulfonyloxy)quinolin-(1H)-ylidene]cyclohepta-4,6-diene-1,3-dione
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Formula C30H30ClNO5S
InChI InChI=1S/C30H30ClNO5S/c1-29(2,3)19-16-22(30(4,5)6)28(34)26(24(33)17-19)23-15-10-18-8-7-9-25(27(18)32-23)37-38(35,36)21-13-11-20(31)12-14-21/h7-17,32H,1-6H3/b26-23+
InChIKey FOFSKWPEZUUOGP-WNAAXNPUSA-N
Molecular Weight 552.085 g/mol
SMILES N1c2c(cccc2C=C\C1=C\1C(C(=CC(=CC1=O)C(C)(C)C)C(C)(C)C)=O)OS(c1ccc(cc1)Cl)(=O)=O
SPLASH splash10-03di-4932060000-bae50bac7f8b4bf3546b
Source of Spectrum HC-50-835-4c
Synonyms (E)-2-(3,5-di-tert-butyl-2,7-dioxocyclohepta-3,5-dien-1-ylidene)-1,2-dihydroquinolin-8-yl 4-chlorobenzenesulfonate
Wiley ID 1739745