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6,6-Dimethyl-2-(2-oxopropyl)bicyclo[3.1.1]heptan-3-one
SpectraBase Compound ID 87Flvn90BUK
InChI InChI=1S/C12H18O2/c1-7(13)4-9-10-5-8(6-11(9)14)12(10,2)3/h8-10H,4-6H2,1-3H3/t8-,9?,10+/m0/s1
InChIKey SAAPIEBBPVWZQN-DJBFQZMMSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPyDkjKm3en
Name 6,6-Dimethyl-2-(2-oxopropyl)bicyclo[3.1.1]heptan-3-one
Alternate Name(s) 2-Acetonyl-6,6-dimethyl-norpinan-3-one 6,6-Dimethyl-4-(2-oxidanylidenepropyl)bicyclo[3.1.1]heptan-3-one 6,6-Dimethyl-4-(2-oxopropyl)-3-bicyclo[3.1.1]heptanone 6,6-Dimethyl-4-(2-oxopropyl)bicyclo[3.1.1]heptan-3-one Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-oxopropyl)-, isomer 1 Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-oxopropyl)-, isomer 2
CAS Registry Number 123123-26-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-7(13)4-9-10-5-8(6-11(9)14)12(10,2)3/h8-10H,4-6H2,1-3H3/t8-,9?,10+/m0/s1
InChIKey SAAPIEBBPVWZQN-DJBFQZMMSA-N
Molecular Weight 194.274 g/mol
SMILES C1([C@@]2(C([C@](CC1=O)(C2)[H])(C)C)[H])CC(C)=O
SPLASH splash10-00mo-9500000000-aff43488ac119dda9491
Source of Spectrum F-44-6838-14
Wiley ID 1191115