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2,6-ditert-butyl-4-[5-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-2-thienylidene]cyclohexa-2,5-dien-1-one
SpectraBase Compound ID 3lRG5ALH1x1
InChI InChI=1S/C32H42O2S/c1-29(2,3)21-15-19(16-22(27(21)33)30(4,5)6)25-13-14-26(35-25)20-17-23(31(7,8)9)28(34)24(18-20)32(10,11)12/h13-18H,1-12H3
InChIKey ZPDKHPPODMFONR-UHFFFAOYSA-N
Mol Weight 490.7 g/mol
Molecular Formula C32H42O2S
Exact Mass 490.290552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EdA6N3kmC02
Name 2,6-ditert-butyl-4-[5-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-2-thienylidene]cyclohexa-2,5-dien-1-one
Alternate Name(s) 2,6-ditert-butyl-4-[5-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)thiophen-2-ylidene]cyclohexa-2,5-dien-1-one 2,6-ditert-butyl-4-[5-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-2-thiophenylidene]-1-cyclohexa-2,5-dienone 2,6-ditert-butyl-4-[5-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-thienylidene]cyclohexa-2,5-dien-1-one 2,6-ditert-butyl-4-[5-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)thiophen-2-ylidene]cyclohexa-2,5-dien-1-one
CAS Registry Number 42154-06-3
Comments Less than 3 mono-isotopic peaks
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Formula C32H42O2S
InChI InChI=1S/C32H42O2S/c1-29(2,3)21-15-19(16-22(27(21)33)30(4,5)6)25-13-14-26(35-25)20-17-23(31(7,8)9)28(34)24(18-20)32(10,11)12/h13-18H,1-12H3
InChIKey ZPDKHPPODMFONR-UHFFFAOYSA-N
Molecular Weight 490.746 g/mol
SMILES C=1(C(C(C(C)(C)C)=CC(C1)=C1SC(=C2C=C(C(C)(C)C)C(C(=C2)C(C)(C)C)=O)C=C1)=O)C(C)(C)C
SPLASH splash10-0006-0000900000-fc67e5f4590c6bde002a
Source of Spectrum C-113-4583-2
Wiley ID 1397343