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[Bi-3-cyclohexen-1-yl]-2-one, 4,4'-bis(1,1-dimethylethyl)-2'-hydroxy-, [1'.alpha.(R*),2'.beta.]-(.+-.)-
SpectraBase Compound ID n4hYu8ulep
InChI InChI=1S/C20H32O2/c1-19(2,3)13-7-9-15(17(21)11-13)16-10-8-14(12-18(16)22)20(4,5)6/h11-12,15-17,21H,7-10H2,1-6H3/t15-,16?,17+/m1/s1
InChIKey ZRCUXOWGNOTYBM-SKQWJGTPSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTMZVb53QJ8
Name [Bi-3-cyclohexen-1-yl]-2-one, 4,4'-bis(1,1-dimethylethyl)-2'-hydroxy-, [1'.alpha.(R*),2'.beta.]-(.+-.)-
CAS Registry Number 119615-97-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-19(2,3)13-7-9-15(17(21)11-13)16-10-8-14(12-18(16)22)20(4,5)6/h11-12,15-17,21H,7-10H2,1-6H3/t15-,16?,17+/m1/s1
InChIKey ZRCUXOWGNOTYBM-SKQWJGTPSA-N
Molecular Weight 304.474 g/mol
SMILES O[C@]1(C=C(CC[C@@]1(C1C(C=C(C(C)(C)C)CC1)=O)[H])C(C)(C)C)[H]
SPLASH splash10-0a4i-9400000000-1dad40231a56b7d19541
Source of Spectrum B-41-523-16
Synonyms (1'RS,2'SR,6SR)-3-(t-butyl)-6-[4'-(t-butyl)-2'-hydroxycyclohex-3'-enyl]cyclohex-2-enone 3-tert-Butyl-6-[(1R,2R)-4-tert-butyl-2-hydroxycyclohex-3-en-1-yl]cyclohex-2-en-1-one
Wiley ID 1306901