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1,6-Bis(1,1-dimethylethyl)-4-(4-chlorophenyl)bicyclo[3.2.1]oct-3,6-diene-2,8-dione
SpectraBase Compound ID 7IT8v8XGvZp
InChI InChI=1S/C22H25ClO2/c1-20(2,3)16-12-22(21(4,5)6)17(24)11-15(18(16)19(22)25)13-7-9-14(23)10-8-13/h7-12,18H,1-6H3/t18-,22+/m1/s1
InChIKey YRIYSIVHSFSOMB-GCJKJVERSA-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 GjGbF7UZHUt
Name 1,6-Bis(1,1-dimethylethyl)-4-(4-chlorophenyl)bicyclo[3.2.1]oct-3,6-diene-2,8-dione
Alternate Name(s) 1,6-Ditert-butyl-4-(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)16-12-22(21(4,5)6)17(24)11-15(18(16)19(22)25)13-7-9-14(23)10-8-13/h7-12,18H,1-6H3/t18-,22+/m1/s1
InChIKey YRIYSIVHSFSOMB-GCJKJVERSA-N
Molecular Weight 356.893 g/mol
SMILES [C@@]12(C([C@@](C(=C2)C(C)(C)C)(C(=CC1=O)c1ccc(cc1)Cl)[H])=O)C(C)(C)C
SPLASH splash10-08fr-0019000000-ac89ef7173565f21174e
Source of Spectrum F-56-3739-14
Wiley ID 857171