| SpectraBase Spectrum ID |
4PoEMtkopU |
| Name |
Cocaine-D3 |
| 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-MYLQKZLPSA-N |
| Molecular Weight |
306.376 g/mol |
| SMILES |
C1C[C@@]2([C@@]([C@@](C[C@]1(N2C([D])([D])[D])[H])([H])OC(=O)c1ccccc1)([H])C(OC)=O)[H] |
| SPLASH |
splash10-000i-9500000000-5b0f6cb10db5910d45fc |
| Source of Spectrum |
SWG-33-4543-0 |
| Synonyms |
Methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-(methyl-D3)-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Wiley ID |
1811143 |
