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(1RS,1'RS)-4,4'-DI-TERT.-BUTYL-(BICYCLOHEX-3-EN-1-YL)-2,2'-DIONE
SpectraBase Compound ID JdWC2BFjTe7
InChI InChI=1S/C20H30O2/c1-19(2,3)13-7-9-15(17(21)11-13)16-10-8-14(12-18(16)22)20(4,5)6/h11-12,15-16H,7-10H2,1-6H3/t15-,16+
InChIKey UXAZUGOPQCUHRX-IYBDPMFKSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNcBTDB7YRI
Name (6S)-3-tert-butyl-6-[(1R)-4-tert-butyl-2-keto-cyclohex-3-en-1-yl]cyclohex-2-en-1-one
Alternate Name(s) [Bi-3-cyclohexen-1-yl]-2,2'-dione, 4,4'-bis(1,1-dimethylethyl)-, (R*,S*)- (1R,1'S)-4,4'-di(t-butyl)[bicyclohex-3-en-1-yl]-2,2'-dione (1RS,1'RS)-4,4'-di(t-butyl)[bicyclohex-3-en-1-yl]-2,2'-dione (6S)-3-tert-butyl-6-[(1R)-4-tert-butyl-2-oxo-1-cyclohex-3-enyl]-1-cyclohex-2-enone (6S)-3-tert-butyl-6-[(1R)-4-tert-butyl-2-oxidanylidene-cyclohex-3-en-1-yl]cyclohex-2-en-1-one (6S)-3-tert-butyl-6-[(1R)-4-tert-butyl-2-oxo-cyclohex-3-en-1-yl]cyclohex-2-en-1-one (6S)-3-tert-butyl-6-[(1R)-4-tert-butyl-2-oxocyclohex-3-en-1-yl]cyclohex-2-en-1-one
CAS Registry Number 96965-12-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-19(2,3)13-7-9-15(17(21)11-13)16-10-8-14(12-18(16)22)20(4,5)6/h11-12,15-16H,7-10H2,1-6H3/t15-,16+
InChIKey UXAZUGOPQCUHRX-IYBDPMFKSA-N
Molecular Weight 302.458 g/mol
SMILES C1(C=C(C(C)(C)C)CC[C@@]1([C@]1(C(C=C(CC1)C(C)(C)C)=O)[H])[H])=O
SPLASH splash10-0pdm-9400000000-e9352dbba43cca6ec6fb
Source of Spectrum B-41-523-13
Wiley ID 1305138