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1,5-di-Tert-butyl-8-phenylbicyclo[2.2.2]octa-5,7-dien-2,3-dione
SpectraBase Compound ID J3sJz1EwYrL
InChI InChI=1S/C22H26O2/c1-20(2,3)16-13-22(21(4,5)6)12-15(14-10-8-7-9-11-14)17(16)18(23)19(22)24/h7-13,17H,1-6H3/t17-,22-/m0/s1
InChIKey MPWGUENBCPZSCI-UHFFFAOYSA-N
Mol Weight 322.45 g/mol
Molecular Formula C22H26O2
Exact Mass 322.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AUoHzYddkl6
Name 1,5-Di-tert-Butyl-8-phenylbicyclo[2.2.2]octa-5,7-dien-2,3-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O2
InChI InChI=1S/C22H26O2/c1-20(2,3)16-13-22(21(4,5)6)12-15(14-10-8-7-9-11-14)17(16)18(23)19(22)24/h7-13,17H,1-6H3/t17-,22-/m1/s1
InChIKey MPWGUENBCPZSCI-UHFFFAOYSA-N
Molecular Weight 322.448 g/mol
SMILES [C@]12(C(C(=O)[C@](C(=C2)c2ccccc2)(C(=C1)C(C)(C)C)[H])=O)C(C)(C)C
SPLASH splash10-0uxr-0090000000-a8bbeb569719e1db211f
Source of Spectrum QA-33-75-10
Synonyms 3-Phenyl-1,5-bis(1,1-dimethylethyl)bicyclo[2.2.2]oct-2,5-dien-7,8-dione 1,5-ditert-butyl-8-phenylbicyclo[2.2.2]octa-5,7-diene-2,3-dione
Wiley ID 861036