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6-Acetyl-3,3-dimethylbicyclo[2.2.2]octan-2-one
SpectraBase Compound ID 6NtYZ4BGkXo
InChI InChI=1S/C12H18O2/c1-7(13)10-6-8-4-5-9(10)11(14)12(8,2)3/h8-10H,4-6H2,1-3H3
InChIKey NYSVMCVXAUSFFS-UHFFFAOYSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTZFqKEhSf3
Name 6-Acetyl-3,3-dimethylbicyclo[2.2.2]octan-2-one
CAS Registry Number 111455-39-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-7(13)10-6-8-4-5-9(10)11(14)12(8,2)3/h8-10H,4-6H2,1-3H3/t8-,9+,10+/m0/s1
InChIKey NYSVMCVXAUSFFS-UHFFFAOYSA-N
Molecular Weight 194.274 g/mol
SMILES C1[C@@]([C@]2(CC[C@@]1(C(C2=O)(C)C)[H])[H])(C(C)=O)[H]
SPLASH splash10-00kf-9200000000-5679bb1f1b47e062e993
Source of Spectrum AH-117-1410-7
Synonyms 5-Acetyl-2,2-dimethyl-3-bicyclo[2.2.2]octanone 5-Acetyl-2,2-dimethyl-bicyclo[2.2.2]octan-3-one 5-Ethanoyl-2,2-dimethyl-bicyclo[2.2.2]octan-3-one 7-Anti-Acetyl-3,3-dimethylbicyclo[2.2.2]octan-2-one
Wiley ID 1191104