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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 BsHOCMBJ1Bq
Name Bicyclo[2.2.2]octan-2-one
Classification Ketones
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 124.088815005 u
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
Number of Peaks 8
SMILES C1[C@]2(CC([C@@](C1)(CC2)[H])=O)[H]
SPLASH splash10-001i-9000000000-ef2c8d4c8f4c46cf787f
Source of Spectrum FF-8-299-10 (DOI: 10.1002/ffj.2730080603)
Synonyms (1s,4s)-bicyclo[2.2.2]octan-2-one
Wiley ID 1801252