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2,4,6-tritert-butyl-4-(3,5-ditert-butyl-4-hydroxy-benzyl)bicyclo[4.1.0]hept-2-en-5-one

View entire compound with spectra: 1 MS (GC)

2,4,6-tritert-butyl-4-(3,5-ditert-butyl-4-hydroxy-benzyl)bicyclo[4.1.0]hept-2-en-5-one
SpectraBase Compound ID 8tepjuAnZ45
InChI InChI=1S/C34H54O2/c1-28(2,3)22-16-21(17-23(26(22)35)29(4,5)6)18-33(31(10,11)12)19-24(30(7,8)9)25-20-34(25,27(33)36)32(13,14)15/h16-17,19,25,35H,18,20H2,1-15H3
InChIKey TVCORKNXWOISJU-UHFFFAOYSA-N
Mol Weight 494.8 g/mol
Molecular Formula C34H54O2
Exact Mass 494.412381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E1uL2CRQLq8
Name 2,4,6-tritert-butyl-4-(3,5-ditert-butyl-4-hydroxy-benzyl)bicyclo[4.1.0]hept-2-en-5-one
CAS Registry Number 19719-71-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H54O2
InChI InChI=1S/C34H54O2/c1-28(2,3)22-16-21(17-23(26(22)35)29(4,5)6)18-33(31(10,11)12)19-24(30(7,8)9)25-20-34(25,27(33)36)32(13,14)15/h16-17,19,25,35H,18,20H2,1-15H3
InChIKey TVCORKNXWOISJU-UHFFFAOYSA-N
Molecular Weight 494.804 g/mol
SMILES Oc1c(cc(cc1C(C)(C)C)CC1(C=C(C2CC2(C1=O)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
SPLASH splash10-014i-2090000000-a021ad1e04349943b562
Source of Spectrum AD-0-4873-0
Synonyms 2,4,6-tritert-butyl-4-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]bicyclo[4.1.0]hept-2-en-5-one 2,4,6-tritert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-5-bicyclo[4.1.0]hept-2-enone 2,4,6-tritert-butyl-4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]bicyclo[4.1.0]hept-2-en-5-one
Wiley ID 1398021