| SpectraBase Spectrum ID |
i4X0HDGvA |
| Name |
Cocaine D3 |
| Alternate Name(s) |
Cocaine trideuterated
Methyl 3-benzoyloxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
Methyl 3-(phenylcarbonyloxy)-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-4-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H18D3NO4 |
| InChI |
InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14?,15?/m0/s1/i1D3 |
| InChIKey |
ZPUCINDJVBIVPJ-SUSJKHGPSA-N |
| Molecular Weight |
306.376 g/mol |
| SMILES |
[C@]12(C(C(OC(=O)c3ccccc3)C[C@@](N1C([D])([D])[D])(CC2)[H])C(=O)OC)[H] |
| SPLASH |
splash10-000i-9711000000-827ace2be117c6efc286 |
| Source of Spectrum |
CJ-0-3-3562 |
| Wiley ID |
1305674 |
