| SpectraBase Spectrum ID |
gM45c9I5A |
| Name |
3-Iodobenzoyl ecgonine methyl ester |
| Alternate Name(s) |
Methyl (1R,2R,3S,5S)-3-hydroxy-4-(3-iodobenzoyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H20INO4 |
| InChI |
InChI=1S/C17H20INO4/c1-19-11-6-7-12(19)14(17(22)23-2)16(21)13(11)15(20)9-4-3-5-10(18)8-9/h3-5,8,11-14,16,21H,6-7H2,1-2H3/t11-,12+,13?,14+,16-/m0/s1 |
| InChIKey |
QKPKQKYSSZJPPF-YHVWBBCZSA-N |
| Molecular Weight |
429.254 g/mol |
| SMILES |
O[C@@]1([C@@]([C@]2([H])N([C@](C1C(c1cc(I)ccc1)=O)(CC2)[H])C)(C(=O)OC)[H])[H] |
| SPLASH |
splash10-001i-9200200000-fe8654fb044502196793 |
| Source of Spectrum |
F-67-8624-0 |
| Wiley ID |
1571306 |
