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1,6-Bis(1,1-dimethylethyl)-3-phenylbicyclo[3.2.1]oct-3,6-diene-2,8-dione
SpectraBase Compound ID As1q1dG2zx2
InChI InChI=1S/C22H26O2/c1-20(2,3)17-13-22(21(4,5)6)18(23)15(12-16(17)19(22)24)14-10-8-7-9-11-14/h7-13,16H,1-6H3/t16-,22+/m1/s1
InChIKey HDQWEZGZUKJKFD-ZHRRBRCNSA-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 Hc4zJUYcfrl
Name 1,6-Bis(1,1-dimethylethyl)-3-phenylbicyclo[3.2.1]oct-3,6-diene-2,8-dione
Alternate Name(s) 1,6-Ditert-butyl-3-phenylbicyclo[3.2.1]octa-3,6-diene-2,8-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O2
InChI InChI=1S/C22H26O2/c1-20(2,3)17-13-22(21(4,5)6)18(23)15(12-16(17)19(22)24)14-10-8-7-9-11-14/h7-13,16H,1-6H3/t16-,22+/m1/s1
InChIKey HDQWEZGZUKJKFD-ZHRRBRCNSA-N
Molecular Weight 322.448 g/mol
SMILES [C@]12(C(C(c3ccccc3)=C[C@@](C1=O)(C(=C2)C(C)(C)C)[H])=O)C(C)(C)C
SPLASH splash10-014i-2091000000-caa8b4df298bf15a6017
Source of Spectrum F-56-3738-4
Wiley ID 857176