| SpectraBase Spectrum ID |
8rR3zCAz6Ou |
| Name |
(1R,2S,3S,5S)-3-(BENZYLTHIO)-8-METHYL-8-AZABICYCLO-[3.2.1]-OCTANE-2-CARBOXYLIC-ACID-METHYLESTER;COCAINE-BENZOYLTHIOESTER |
| Compound Number |
17 |
| Copyright |
Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula |
C17H21NO3S |
| InChI |
InChI=1S/C17H21NO3S/c1-18-12-8-9-13(18)15(16(19)21-2)14(10-12)22-17(20)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 |
| InChIKey |
PKDHUFYOPRGLEU-LJISPDSOSA-N |
| Literature Reference Author |
S.ISOMURA,T.Z.HOFFMAN,P.WIRSCHING,K.D.JANDA |
| Literature Reference Citation |
J.AM.CHEM.SOC.,124,3661(2002) |
| Literature Reference DOI |
10.1021/ja012376y |
| Molecular Weight |
319.419 g/mol |
| Sample ID |
33622 |
| Solvent |
CDCl3 |
![(1R,2S,3S,5S)-3-(BENZYLTHIO)-8-METHYL-8-AZABICYCLO-[3.2.1]-OCTANE-2-CARBOXYLIC-ACID-METHYLESTER;COCAINE-BENZOYLTHIOESTER](/api/spectrum/8rR3zCAz6Ou/structure.png?h=300&w=458 "(1R,2S,3S,5S)-3-(BENZYLTHIO)-8-METHYL-8-AZABICYCLO-[3.2.1]-OCTANE-2-CARBOXYLIC-ACID-METHYLESTER;COCAINE-BENZOYLTHIOESTER")
