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1-Methyl-4-(methylethyl)-bicyclo[2.2.2]oct -5- en-2-one
SpectraBase Compound ID EOXMfcsOium
InChI InChI=1S/C12H18O/c1-9(2)12-6-4-11(3,5-7-12)10(13)8-12/h4,6,9H,5,7-8H2,1-3H3/t11-,12-/m1/s1
InChIKey DAJMATPOHFJMDC-VXGBXAGGSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5yRiiT4oYPH
Name 1-Methyl-4-(methylethyl)-bicyclo[2.2.2]oct -5- en-2-one
Classification Cyclohexenones
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 178.135765199 u
Formula C12H18O
InChI InChI=1S/C12H18O/c1-9(2)12-6-4-11(3,5-7-12)10(13)8-12/h4,6,9H,5,7-8H2,1-3H3/t11-,12-/m1/s1
InChIKey DAJMATPOHFJMDC-VXGBXAGGSA-N
Molecular Weight 178.275 g/mol
Number of Peaks 6
SMILES C1[C@]2(CC([C@@](C1)(C=C2)C)=O)C(C)C
SPLASH splash10-0079-2900000000-61b76525c0ae9bf6be2e
Source of Spectrum FF-8-299-9 (DOI: 10.1002/ffj.2730080603)
Synonyms (1R,4R)-4-isopropyl-1-methylbicyclo[2.2.2]oct-5-en-2-one
Wiley ID 1801279