![(S)-[5-((E)-2-Iodo-vinyl)-1-aza-bicyclo[2.2.2]oct-2-yl]-(6-methoxy-quinolin-4-yl)-methanol](/api/spectrum/IRsypz3li2V/structure.png?h=300&w=458 "(S)-[5-((E)-2-Iodo-vinyl)-1-aza-bicyclo[2.2.2]oct-2-yl]-(6-methoxy-quinolin-4-yl)-methanol")
| SpectraBase Compound ID | 7ORs9Gejf46 |
|---|---|
| InChI | InChI=1S/C20H23IN2O2/c1-25-15-2-3-18-17(11-15)16(5-8-22-18)20(24)19-10-13-6-9-23(19)12-14(13)4-7-21/h2-5,7-8,11,13-14,19-20,24H,6,9-10,12H2,1H3/b7-4+/t13?,14?,19?,20-/m0/s1 |
| InChIKey | JPUACESSYLTWRC-CAMAMJJVSA-N |
| Mol Weight | 450.32 g/mol |
| Molecular Formula | C20H23IN2O2 |
| Exact Mass | 450.080423 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IRsypz3li2V |
|---|---|
| Name | (S)-[5-((E)-2-Iodo-vinyl)-1-aza-bicyclo[2.2.2]oct-2-yl]-(6-methoxy-quinolin-4-yl)-methanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 450.080422987 u |
| Formula | C20H23IN2O2 |
| InChI | InChI=1S/C20H23IN2O2/c1-25-15-2-3-18-17(11-15)16(5-8-22-18)20(24)19-10-13-6-9-23(19)12-14(13)4-7-21/h2-5,7-8,11,13-14,19-20,24H,6,9-10,12H2,1H3/b7-4+/t13?,14?,19?,20-/m0/s1 |
| InChIKey | JPUACESSYLTWRC-CAMAMJJVSA-N |
| Molecular Weight | 450.320 g/mol |
| SMILES | C1(N2CCC(C1)C(C2)\C=C\I)[C@](C=1C=2C(=CC=C(C2)OC)N=CC1)(O)[H] |