| SpectraBase Spectrum ID |
CODh0MW1CmV |
| 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 |
Removed - expert review: contamination (acetone)); Note: The molecular formula of the structure shown is C13H23NO - which differs from the formula reported for the mass spectrum (C13H24N2O) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H24N2O |
| 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@]12(C([C@@]([C@@]([C@@](C2(C)C)(C1)[H])(C)[H])(CN(C)C)[H])=O)[H] |
| SPLASH |
splash10-0a4i-9000000000-f6f5fedc836231682161 |
| Source of Spectrum |
O1-36-792-13 |
| Wiley ID |
819834 |
![3-trans-(Dimethylaminomethyl)-4-cis-6,6-trimethylbicyclo[3.1.1]heptan-2-one](/api/spectrum/CODh0MW1CmV/structure.png?h=300&w=458 "3-trans-(Dimethylaminomethyl)-4-cis-6,6-trimethylbicyclo[3.1.1]heptan-2-one")
