| SpectraBase Spectrum ID |
8H664rzV6ye |
| Name |
Cocaine-d3 |
| CAS Registry Number |
138704-14-0 |
| Classification |
Analytical reference standard |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
306.165888394 u |
| 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
306.376 g/mol |
| Nominal Mass |
306 u |
| Quality |
958 |
| Retention Index |
2447 |
| SMILES |
[C@]1([C@](C[C@]2(N([C@@]1(CC2)[H])C([D])([D])[D])[H])(OC(C1=CC=CC=C1)=O)[H])(C(OC)=O)[H] |
| SPLASH |
splash10-000i-9500000000-a51737098184c52a3ffe |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methyl 3-(benzoyloxy)-8-(2h3)methyl-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030828 |
