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1,6-Bis(1,1-dimethylethyl)-3-(4-chlorophenyl)bicyclo[3.2.1]oct-3,6-diene-2,8-dione
SpectraBase Compound ID 6eLetWAmOjT
InChI InChI=1S/C22H25ClO2/c1-20(2,3)17-12-22(21(4,5)6)18(24)15(11-16(17)19(22)25)13-7-9-14(23)10-8-13/h7-12,16H,1-6H3/t16-,22+/m1/s1
InChIKey LNMVNTCXPUKSLW-ZHRRBRCNSA-N
Mol Weight 356.89 g/mol
Molecular Formula C22H25ClO2
Exact Mass 356.154308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID RBVULyxsG
Name 1,6-Bis(1,1-dimethylethyl)-3-(4-chlorophenyl)bicyclo[3.2.1]oct-3,6-diene-2,8-dione
Alternate Name(s) 1,6-Ditert-butyl-3-(4-chlorophenyl)bicyclo[3.2.1]octa-3,6-diene-2,8-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25ClO2
InChI InChI=1S/C22H25ClO2/c1-20(2,3)17-12-22(21(4,5)6)18(24)15(11-16(17)19(22)25)13-7-9-14(23)10-8-13/h7-12,16H,1-6H3/t16-,22+/m1/s1
InChIKey LNMVNTCXPUKSLW-ZHRRBRCNSA-N
Molecular Weight 356.893 g/mol
SMILES [C@]12(C(C(c3ccc(cc3)Cl)=C[C@@](C1=O)(C(=C2)C(C)(C)C)[H])=O)C(C)(C)C
SPLASH splash10-0006-0009000000-eae09280748886759201
Source of Spectrum F-56-3739-12
Wiley ID 857172