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Bicyclo(2.2.2)octan-2-one

View entire compound with spectra: 26 NMR, and 1 MS (GC)

Bicyclo(2.2.2)octan-2-one
SpectraBase Compound ID 1dAE1qeupi8
InChI InChI=1S/C8H12O/c9-8-5-6-1-3-7(8)4-2-6/h6-7H,1-5H2
InChIKey VEPYQCZRVLNDBC-UHFFFAOYSA-N
Mol Weight 124.18 g/mol
Molecular Formula C8H12O
Exact Mass 124.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C6py2SWcpZN
Name Bicyclo[2.2.2]octan-2-one
CAS Registry Number 2716-23-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O
InChI InChI=1S/C8H12O/c9-8-5-6-1-3-7(8)4-2-6/h6-7H,1-5H2
InChIKey VEPYQCZRVLNDBC-UHFFFAOYSA-N
Molecular Weight 124.183 g/mol
SMILES C1(C2CCC(C1)CC2)=O
SPLASH splash10-001i-9100000000-d26d05bf7dded88b1943
Source of Spectrum J-53-3432-0
Synonyms 3-bicyclo[2.2.2]octanone Bicyclo[2.2.2]octanone bicyclo[2.2.2]octan-3-one
Wiley ID 1129041