![exo-2-(2-Chloro-5-pyridyl)-endo-2-hydroxy-7-(p-toluenesulfonyl)-7-azabicyclo[2.2.1]heptane](/api/spectrum/315yQS8gfEn/structure.png?h=300&w=458 "exo-2-(2-Chloro-5-pyridyl)-endo-2-hydroxy-7-(p-toluenesulfonyl)-7-azabicyclo[2.2.1]heptane")
| SpectraBase Compound ID | HDdwHodzxrS |
|---|---|
| InChI | InChI=1S/C18H19ClN2O3S/c1-12-2-6-15(7-3-12)25(23,24)21-14-5-8-16(21)18(22,10-14)13-4-9-17(19)20-11-13/h2-4,6-7,9,11,14,16,22H,5,8,10H2,1H3/t14-,16+,18?/m1/s1 |
| InChIKey | CWBVPTGWVQPLEH-HMZVSMPESA-N |
| Mol Weight | 378.87 g/mol |
| Molecular Formula | C18H19ClN2O3S |
| Exact Mass | 378.080491 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 315yQS8gfEn |
|---|---|
| Name | exo-2-(2-Chloro-5-pyridyl)-endo-2-hydroxy-7-(p-toluenesulfonyl)-7-azabicyclo[2.2.1]heptane |
| Alternate Name(s) | 2-(6-Chloro-3-pyridinyl)-7-[(4-methylphenyl)sulfonyl]-7-azabicyclo[2.2.1]heptan-2-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H19ClN2O3S |
| InChI | InChI=1S/C18H19ClN2O3S/c1-12-2-6-15(7-3-12)25(23,24)21-14-5-8-16(21)18(22,10-14)13-4-9-17(19)20-11-13/h2-4,6-7,9,11,14,16,22H,5,8,10H2,1H3/t14-,16+,18?/m1/s1 |
| InChIKey | CWBVPTGWVQPLEH-HMZVSMPESA-N |
| Molecular Weight | 378.874 g/mol |
| SMILES | OC1([C@]2(N(S(c3ccc(cc3)C)(=O)=O)[C@@](C1)(CC2)[H])[H])c1cnc(cc1)Cl |
| SPLASH | splash10-014l-9230000000-44f9f7a1ce6f4a4e8131 |
| Source of Spectrum | E1-42-1435-9 |
| Wiley ID | 1552728 |