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3-trans-(Dimethylaminomethyl)-4-cis-6,6-trimethylbicyclo[3.1.1]heptan-2-one
SpectraBase Compound ID 9TAJyQg2ZsS
InChI InChI=1S/C13H23NO/c1-8-9(7-14(4)5)12(15)11-6-10(8)13(11,2)3/h8-11H,6-7H2,1-5H3/t8-,9+,10-,11-/m0/s1
InChIKey WWVPNVUSIASQMO-VLEAKVRGSA-N
Mol Weight 209.33 g/mol
Molecular Formula C13H23NO
Exact Mass 209.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HLzYFH36fR7
Name 3-trans-(Dimethylaminomethyl)-4-cis-6,6-trimethylbicyclo[3.1.1]heptan-2-one
Alternate Name(s) Trimethyl-(2,6,6-trimethyl-4-oxo-bicyclo[3.1.1]hept-3-ylmethyl)-ammonium; iodide 3-((R)-1-Dimethylamino-ethyl)-4,6,6-trimethyl-bicyclo[3.1.1]heptan-2-one; hydrochloride 3-trans-(1-Dimethylamino-ethyl)-4-cis-6,6-trimethylbicyclo[3.1.1]heptan-2-one hydrochloride
Comments Less than 3 mono-isotopic peaks
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Formula C13H23NO
InChI InChI=1S/C13H23NO/c1-8-9(7-14(4)5)12(15)11-6-10(8)13(11,2)3/h8-11H,6-7H2,1-5H3/t8-,9+,10-,11-/m0/s1
InChIKey WWVPNVUSIASQMO-VLEAKVRGSA-N
Molecular Weight 209.333 g/mol
SMILES [C@]1(C([C@]2([H])C[C@@]([C@]1(C)[H])(C2(C)C)[H])=O)(CN(C)C)[H]
SPLASH splash10-0a4i-9010000000-809b2c8e8b1b6d8c1e99
Source of Spectrum O1-36-791-4
Wiley ID 819841