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1,2-bis[3',5'-bis(t-Butyl)-4'-oxo-2',5'-cyclohexadien-1'-ylidene]-1,2-dihydro-acenaphthylene
SpectraBase Compound ID 4wAL6zm1BeG
InChI InChI=1S/C40H46O2/c1-37(2,3)28-19-24(20-29(35(28)41)38(4,5)6)33-26-17-13-15-23-16-14-18-27(32(23)26)34(33)25-21-30(39(7,8)9)36(42)31(22-25)40(10,11)12/h13-22H,1-12H3
InChIKey PBIXCDBTBLVFTC-UHFFFAOYSA-N
Mol Weight 558.8 g/mol
Molecular Formula C40H46O2
Exact Mass 558.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3R4j32dHXyr
Name 1,2-bis[3',5'-bis(t-Butyl)-4'-oxo-2',5'-cyclohexadien-1'-ylidene]-1,2-dihydro-acenaphthylene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H46O2
InChI InChI=1S/C40H46O2/c1-37(2,3)28-19-24(20-29(35(28)41)38(4,5)6)33-26-17-13-15-23-16-14-18-27(32(23)26)34(33)25-21-30(39(7,8)9)36(42)31(22-25)40(10,11)12/h13-22H,1-12H3
InChIKey PBIXCDBTBLVFTC-UHFFFAOYSA-N
Molecular Weight 558.806 g/mol
SMILES C1(C(=C2C=C(C(C)(C)C)C(C(=C2)C(C)(C)C)=O)c2cccc3c2c1ccc3)=C1C=C(C(C)(C)C)C(C(=C1)C(C)(C)C)=O
SPLASH splash10-0a4i-0000090000-f7ccf401e63fa41641c7
Source of Spectrum D1-2007-2055-3
Synonyms 2,6-ditert-butyl-4-(2-(3,5-ditert-butyl-4-oxo-2,5-cyclohexadien-1-ylidene)-1(2H)-acenaphthylenylidene)-2,5-cyclohexadien-1-one
Wiley ID 1639541