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4-Norcaren-2-one, 1,3,5-tri-tert-butyl-3-[(1,3,5-tri-tert-butyl-4-oxo-2,5-cyclohexadien-1-yl)methyl]-
SpectraBase Compound ID FyQXbL0UaMl
InChI InChI=1S/C38H62O2/c1-30(2,3)24-21-37(34(13,14)15,29(40)38(22-25(24)38)35(16,17)18)23-36(33(10,11)12)19-26(31(4,5)6)28(39)27(20-36)32(7,8)9/h19-21,25H,22-23H2,1-18H3
InChIKey BAIDKDXBWGVUKI-UHFFFAOYSA-N
Mol Weight 550.9 g/mol
Molecular Formula C38H62O2
Exact Mass 550.474981 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6xcnOPaRnav
Name 4-Norcaren-2-one, 1,3,5-tri-tert-butyl-3-[(1,3,5-tri-tert-butyl-4-oxo-2,5-cyclohexadien-1-yl)methyl]-
CAS Registry Number 19719-70-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H62O2
InChI InChI=1S/C38H62O2/c1-30(2,3)24-21-37(34(13,14)15,29(40)38(22-25(24)38)35(16,17)18)23-36(33(10,11)12)19-26(31(4,5)6)28(39)27(20-36)32(7,8)9/h19-21,25H,22-23H2,1-18H3
InChIKey BAIDKDXBWGVUKI-UHFFFAOYSA-N
Molecular Weight 550.912 g/mol
SMILES C(C)(C)(C)C12C(C(C(C)(C)C)=CC(C2=O)(CC2(C(C)(C)C)C=C(C(C)(C)C)C(C(=C2)C(C)(C)C)=O)C(C)(C)C)C1
SPLASH splash10-0a4l-9120000000-ed66b0f8a6ab82f1b34b
Source of Spectrum AD-0-4872-0
Synonyms 1,3,5-Tritert-butyl-3-[(1,3,5-tritert-butyl-4-oxo-2,5-cyclohexadien-1-yl)methyl]bicyclo[4.1.0]hept-4-en-2-one 2,4,6-tritert-butyl-4-[(1,3,5-tritert-butyl-4-keto-cyclohexa-2,5-dien-1-yl)methyl]bicyclo[4.1.0]hept-2-en-5-one 2,4,6-tritert-butyl-4-[(1,3,5-tritert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)methyl]bicyclo[4.1.0]hept-2-en-5-one 2,4,6-tritert-butyl-4-[(1,3,5-tritert-butyl-4-oxo-1-cyclohexa-2,5-dienyl)methyl]-5-bicyclo[4.1.0]hept-2-enone 2,4,6-tritert-butyl-4-[(1,3,5-tritert-butyl-4-oxo-cyclohexa-2,5-dien-1-yl)methyl]bicyclo[4.1.0]hept-2-en-5-one
Wiley ID 64401