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Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-oxobutyl)-, (stereoisomer 2)
SpectraBase Compound ID JBPa8WwrTTq
InChI InChI=1S/C13H20O2/c1-4-9(14)7-10-11-5-8(6-12(10)15)13(11,2)3/h8,10-11H,4-7H2,1-3H3
InChIKey IVQLMXVJWFENQU-UHFFFAOYSA-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 Flun9Z6Y0yn
Name Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-oxobutyl)-, (stereoisomer 2)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-4-9(14)7-10-11-5-8(6-12(10)15)13(11,2)3/h8,10-11H,4-7H2,1-3H3
InChIKey IVQLMXVJWFENQU-UHFFFAOYSA-N
Molecular Weight 208.301 g/mol
SMILES CC1(C2C(C(CC1C2)=O)CC(CC)=O)C
SPLASH splash10-0a4i-9200000000-58a12e9234177c28517d
Synonyms 2-(2-ketobutyl)-6,6-dimethyl-norpinan-3-one 6,6-Dimethyl-2-(2-oxobutyl)bicyclo[3.1.1]heptan-3-one Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-oxobutyl)-, (stereoisomer 1) 6,6-Dimethyl-2-(2-oxobutyl)norpinan-3-one 6,6-Dimethyl-4-(2-oxobutyl)-3-bicyclo[3.1.1]heptanone 6,6-Dimethyl-4-(2-oxidanylidenebutyl)bicyclo[3.1.1]heptan-3-one 6,6-Dimethyl-4-(2-oxobutyl)bicyclo[3.1.1]heptan-3-one
Wiley ID 1491081