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2-Butanone, 3,3-dimethyl-1-(2-methylbicyclo[4.1.0]hept-2-yl)-, (1.alpha.,2.alpha.,6.alpha.)-
SpectraBase Compound ID BGJqFIcFLnS
InChI InChI=1S/C14H24O/c1-13(2,3)12(15)9-14(4)7-5-6-10-8-11(10)14/h10-11H,5-9H2,1-4H3/t10-,11+,14-/m0/s1
InChIKey ORXPKEWMIUXDDD-WDMOLILDSA-N
Mol Weight 208.34 g/mol
Molecular Formula C14H24O
Exact Mass 208.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 67HvlFVg9tM
Name 2-Butanone, 3,3-dimethyl-1-(2-methylbicyclo[4.1.0]hept-2-yl)-, (1.alpha.,2.alpha.,6.alpha.)-
CAS Registry Number 59671-53-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24O
InChI InChI=1S/C14H24O/c1-13(2,3)12(15)9-14(4)7-5-6-10-8-11(10)14/h10-11H,5-9H2,1-4H3/t10-,11+,14-/m0/s1
InChIKey ORXPKEWMIUXDDD-WDMOLILDSA-N
Molecular Weight 208.345 g/mol
SMILES [C@@]12(C[C@@]2(CCC[C@]1(CC(C(C)(C)C)=O)C)[H])[H]
SPLASH splash10-0a4l-5910000000-63ee12b5e1395b569679
Source of Spectrum J-41-3081-0
Synonyms (1.alpha.,2.alpha.,6.alpha.)-3,3-dimethyl-1-(2-methylbicyclo[4.1.0]hept-2-yl)-2-butanone 3,3-Dimethyl-1-[(1R,2S,6S)-2-methylbicyclo[4.1.0]hept-2-yl]-2-butanone
Wiley ID 1207501