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2,6-Ditert-butyl-4-[3-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-2,2,4,4-tetramethyl-cyclobutylidene]cyclohexa-2,5-dien-1-one
SpectraBase Compound ID 7sH0SI91bWs
InChI InChI=1S/C36H52O2/c1-31(2,3)23-17-21(18-24(27(23)37)32(4,5)6)29-35(13,14)30(36(29,15)16)22-19-25(33(7,8)9)28(38)26(20-22)34(10,11)12/h17-20H,1-16H3
InChIKey ZUHKEGBFJATBBW-UHFFFAOYSA-N
Mol Weight 516.8 g/mol
Molecular Formula C36H52O2
Exact Mass 516.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6sfuTTcV68a
Name 2,6-Ditert-butyl-4-[3-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-2,2,4,4-tetramethyl-cyclobutylidene]cyclohexa-2,5-dien-1-one
CAS Registry Number 107271-45-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H52O2
InChI InChI=1S/C36H52O2/c1-31(2,3)23-17-21(18-24(27(23)37)32(4,5)6)29-35(13,14)30(36(29,15)16)22-19-25(33(7,8)9)28(38)26(20-22)34(10,11)12/h17-20H,1-16H3
InChIKey ZUHKEGBFJATBBW-UHFFFAOYSA-N
Molecular Weight 516.810 g/mol
SMILES C1(=C2C=C(C(C)(C)C)C(C(=C2)C(C)(C)C)=O)C(C)(C)C(C1(C)C)=C1C=C(C(C)(C)C)C(C(=C1)C(C)(C)C)=O
SPLASH splash10-0aor-9000070000-7bf438f7eb6204ef0bac
Source of Spectrum J-52-2159-23
Synonyms 2,6-Ditert-butyl-4-[3-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2,2,4,4-tetramethyl-cyclobutylidene]cyclohexa-2,5-dien-1-one 2,6-Ditert-butyl-4-[3-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-2,2,4,4-tetramethylcyclobutylidene]-1-cyclohexa-2,5-dienone 2,6-Ditert-butyl-4-[3-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2,2,4,4-tetramethyl-cyclobutylidene]cyclohexa-2,5-dien-1-one
Wiley ID 1401510