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1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-butanone
SpectraBase Compound ID 5Rfd8v6LB4W
InChI InChI=1S/C13H22O/c1-4-5-11(14)12-9-6-7-10(8-9)13(12,2)3/h9-10,12H,4-8H2,1-3H3/t9-,10-,12-/m0/s1
InChIKey AURJOQMEZPHYDR-NHCYSSNCSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7XnTeoC8ep
Name 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-butanone
Alternate Name(s) 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)butan-1-one 1-(3,3-dimethylnorbornan-2-yl)butan-1-one
CAS Registry Number 101372-47-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-4-5-11(14)12-9-6-7-10(8-9)13(12,2)3/h9-10,12H,4-8H2,1-3H3/t9-,10-,12-/m0/s1
InChIKey AURJOQMEZPHYDR-NHCYSSNCSA-N
Molecular Weight 194.318 g/mol
SMILES C1([C@@]([C@@]2(C[C@@]1(CC2)[H])[H])(C(=O)CCC)[H])(C)C
SPLASH splash10-00dl-9600000000-76bceeafb73729db5a73
Source of Spectrum AH-116-813-17
Wiley ID 1191460