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1-Methyl-4-(methylethyl)-bicyclo[2.2.2]octan-2-one
SpectraBase Compound ID I6f3wqAuhr5
InChI InChI=1S/C12H20O/c1-9(2)12-6-4-11(3,5-7-12)10(13)8-12/h9H,4-8H2,1-3H3/t11-,12-
InChIKey YNYUFPIEJLKSME-HAQNSBGRSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2hRf6N5rNwc
Name 1-Methyl-4-(methylethyl)-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 180.151415263 u
Formula C12H20O
InChI InChI=1S/C12H20O/c1-9(2)12-6-4-11(3,5-7-12)10(13)8-12/h9H,4-8H2,1-3H3/t11-,12-
InChIKey YNYUFPIEJLKSME-HAQNSBGRSA-N
Molecular Weight 180.291 g/mol
Number of Peaks 8
SMILES C1[C@]2(CC([C@@](C1)(CC2)C)=O)C(C)C
SPLASH splash10-000i-1900000000-8ade938e64b9084412a2
Source of Spectrum FF-8-299-12 (DOI: 10.1002/ffj.2730080603)
Synonyms (1r,4r)-4-isopropyl-1-methylbicyclo[2.2.2]octan-2-one
Wiley ID 1801254