SpectraBase Spectrum ID |
GOT7IKH1NTs |
Name |
Benzoylecgonine-D3 |
Alternate Name(s) |
(2S,3R,5R)-3-(Benzoyloxy)-8-(methyl-D3)-8-azabicyclo[3.2.1]octane-2-carboxylic acid |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C16H16D3NO4 |
InChI |
InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13?,14+/m1/s1/i1D3 |
InChIKey |
GVGYEFKIHJTNQZ-DHLMFVEWSA-N |
Molecular Weight |
292.349 g/mol |
SMILES |
OC([C@@]1(C(C[C@@]2(N([C@]1(CC2)[H])C([D])([D])[D])[H])OC(=O)c1ccccc1)[H])=O |
SPLASH |
splash10-004i-9600000000-e95f70e63c7bb202deff |
Source of Spectrum |
SWG-33-4587-0 |
Wiley ID |
1811185 |