![exo-2-(2-Hydroxy-5-pyridyl)-7-(p-toluenesulfonyl)-7-azabicyclo[2.2.1]heptane](/api/spectrum/2186u4qO2Wp/structure.png?h=300&w=458 "exo-2-(2-Hydroxy-5-pyridyl)-7-(p-toluenesulfonyl)-7-azabicyclo[2.2.1]heptane")
| SpectraBase Compound ID | 9o58BDtFqLx |
|---|---|
| InChI | InChI=1S/C18H20N2O3S/c1-12-2-6-15(7-3-12)24(22,23)20-14-5-8-17(20)16(10-14)13-4-9-18(21)19-11-13/h2-4,6-7,9,11,14,16-17H,5,8,10H2,1H3,(H,19,21)/t14-,16-,17+/m1/s1 |
| InChIKey | DYHHFKOYQCXCJO-UHFFFAOYSA-N |
| Mol Weight | 344.43 g/mol |
| Molecular Formula | C18H20N2O3S |
| Exact Mass | 344.119464 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2186u4qO2Wp |
|---|---|
| Name | exo-2-(2-Hydroxy-5-pyridyl)-7-(p-toluenesulfonyl)-7-azabicyclo[2.2.1]heptane |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H20N2O3S |
| InChI | InChI=1S/C18H20N2O3S/c1-12-2-6-15(7-3-12)24(22,23)20-14-5-8-17(20)16(10-14)13-4-9-18(21)19-11-13/h2-4,6-7,9,11,14,16-17H,5,8,10H2,1H3,(H,19,21)/t14-,16+,17+/m1/s1 |
| InChIKey | DYHHFKOYQCXCJO-UHFFFAOYSA-N |
| Molecular Weight | 344.429 g/mol |
| SMILES | Oc1ccc([C@]2([C@]3(N(S(c4ccc(cc4)C)(=O)=O)[C@@](C2)(CC3)[H])[H])[H])cn1 |
| SPLASH | splash10-01bl-9700000000-b2f3de9b27ee63f3cec5 |
| Source of Spectrum | E1-42-1435-15 |
| Synonyms | endo-2-(2-Hydroxy-5-pyridyl)-7-(p-toluenesulfonyl)-7-azabicyclo[2.2.1]heptane 5-{7-[(4-methylphenyl)sulfonyl]-7-azabicyclo[2.2.1]hept-2-yl}-2-pyridinol |
| Wiley ID | 1552716 |