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BICYCLO-[2.2.2]-OCTAN-2-ON
SpectraBase Compound ID Ia228dy1bPk
InChI InChI=1S/C8H12O/c9-8-5-6-1-3-7(8)4-2-6/h6-7H,1-5H2/t6-,7+
InChIKey VEPYQCZRVLNDBC-KNVOCYPGSA-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 6RHI2N2DPdD
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/t6-,7+
InChIKey VEPYQCZRVLNDBC-KNVOCYPGSA-N
Molecular Weight 124.183 g/mol
SMILES C1(=O)[C@]2(CC[C@@](C1)(CC2)[H])[H]
SPLASH splash10-001i-9100000000-3e2f6d7dca4bdc8b3f13
Source of Spectrum SD-1981-0-0
Synonyms 3-bicyclo[2.2.2]octanone Bicyclo[2.2.2]octanone bicyclo[2.2.2]octan-3-one
Wiley ID 1128991