| SpectraBase Spectrum ID |
FfHoJqPqC5L |
| Name |
O-Benzoylecgonine propyl ester |
| Alternate Name(s) |
Propyl (1R,2S,3R,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H25NO4 |
| InChI |
InChI=1S/C19H25NO4/c1-3-11-23-19(22)17-15-10-9-14(20(15)2)12-16(17)24-18(21)13-7-5-4-6-8-13/h4-8,14-17H,3,9-12H2,1-2H3/t14-,15+,16-,17+/m1/s1 |
| InChIKey |
VNLZTPINKMHMPX-TWMKSMIVSA-N |
| Molecular Weight |
331.412 g/mol |
| SMILES |
[C@@]12([C@@]([C@](OC(=O)c3ccccc3)(C[C@@](N1C)([H])CC2)[H])(C(=O)OCCC)[H])[H] |
| SPLASH |
splash10-001i-9130000000-5280cea7624ed0f07ba0 |
| Source of Spectrum |
BW-0-0-21 |
| Wiley ID |
1328763 |
