| SpectraBase Spectrum ID |
5BIib2d27mi |
| Name |
Benzoyl ecgonine |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H19NO4 |
| InChI |
InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(13(18)9-11)16(20)21-15(19)10-5-3-2-4-6-10/h2-6,11-14,18H,7-9H2,1H3/t11-,12+,13-,14+/m0/s1 |
| InChIKey |
DOMQWRSHTJIAPU-RFQIPJPRSA-N |
| Molecular Weight |
289.331 g/mol |
| SMILES |
O[C@]1(C[C@@]2([H])N([C@]([C@]1(C(=O)OC(c1ccccc1)=O)[H])([H])CC2)C)[H] |
| SPLASH |
splash10-00dl-9700000000-069f1ccc88bfb3b3485c |
| Source of Spectrum |
SWG-33-1540-0 |
| Synonyms |
Benzoic (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic anhydride |
| Wiley ID |
1809239 |
