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(-)-(1S,2R)-6,6-Dimethyl-2-( 3'-oxobutyl)bicyclo[3.1.1]heptan-3-one
SpectraBase Compound ID 5E1i9kFRdJg
InChI InChI=1S/C13H20O2/c1-8(14)4-5-10-11-6-9(7-12(10)15)13(11,2)3/h9-11H,4-7H2,1-3H3/t9?,10-,11+/m1/s1
InChIKey POVCXAOBNHLOOF-ZOCYIJKUSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4orUSfAtkNQ
Name (-)-(1S,2R)-6,6-Dimethyl-2-( 3'-oxobutyl)bicyclo[3.1.1]heptan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-8(14)4-5-10-11-6-9(7-12(10)15)13(11,2)3/h9-11H,4-7H2,1-3H3/t9?,10-,11+/m1/s1
InChIKey POVCXAOBNHLOOF-ZOCYIJKUSA-N
Molecular Weight 208.301 g/mol
SMILES [C@]12(C(C)(C)C(C2)CC([C@@]1(CCC(=O)C)[H])=O)[H]
SPLASH splash10-0006-9100000000-ad512ff9321af45a43cd
Source of Spectrum H-75-1541-0
Synonyms (1S,2R)-6,6-dimethyl-2-(3-oxobutyl)bicyclo[3.1.1]heptan-3-one
Wiley ID 1207309