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Bicyclo[2.2.2]octanone, 5,5'-carbonylbis[4,7,7-trimethyl-, [1.alpha.,4.alpha.,5.beta.(1'S*,4'R*,5'R*)]-(.+-.)-
SpectraBase Compound ID 1TXnVKFqlbY
InChI InChI=1S/C23H34O3/c1-20(2)11-22(5)9-17(24)13(20)7-15(22)19(26)16-8-14-18(25)10-23(16,6)12-21(14,3)4/h13-16H,7-12H2,1-6H3/t13-,14+,15-,16-,22+,23-/m1/s1
InChIKey GPRPHIBITKCHPE-UIHVPKSKSA-N
Mol Weight 358.5 g/mol
Molecular Formula C23H34O3
Exact Mass 358.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3edk493KtVX
Name Bicyclo[2.2.2]octanone, 5,5'-carbonylbis[4,7,7-trimethyl-, [1.alpha.,4.alpha.,5.beta.(1'S*,4'R*,5'R*)]-(.+-.)-
CAS Registry Number 130877-04-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O3
InChI InChI=1S/C23H34O3/c1-20(2)11-22(5)9-17(24)13(20)7-15(22)19(26)16-8-14-18(25)10-23(16,6)12-21(14,3)4/h13-16H,7-12H2,1-6H3/t13-,14+,15-,16-,22+,23-/m1/s1
InChIKey GPRPHIBITKCHPE-UIHVPKSKSA-N
Molecular Weight 358.522 g/mol
SMILES [C@@]12([C@@](C([C@@]3([C@@]4(CC([C@](C3)(C(=O)C4)[H])(C)C)C)[H])=O)(C[C@](C(C2)=O)([H])C(C1)(C)C)[H])C
SPLASH splash10-00xr-6911000000-d48adc771ef95db33189
Source of Spectrum KC-1990-2112-15
Synonyms (1R,4S,5S)-4,7,7-trimethyl-5-{[(1R,2R,4S)-1,5,5-trimethyl-8-oxobicyclo[2.2.2]oct-2-yl]carbonyl}bicyclo[2.2.2]octan-2-one Bis[4,6,6-trimethyl-2-oxobicyclo[2.2.2]octan-8-yl} ketone
Wiley ID 1347419