| SpectraBase Spectrum ID |
62PZwAQ68ns |
| Name |
exo-3-(4-Fluorophenyl)-2-(4-tolylsulfonyl)-2-azabicyclo[2.2.2]octan-5-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H20FNO3S |
| InChI |
InChI=1S/C20H20FNO3S/c1-13-2-9-17(10-3-13)26(24,25)22-16-8-11-18(19(23)12-16)20(22)14-4-6-15(21)7-5-14/h2-7,9-10,16,18,20H,8,11-12H2,1H3/t16-,18+,20?/m0/s1 |
| InChIKey |
IHLBTHRJOBUKFW-UHFFFAOYSA-N |
| Molecular Weight |
373.442 g/mol |
| SMILES |
C1(N(S(c2ccc(cc2)C)(=O)=O)[C@]2(CC[C@@]1(C(C2)=O)[H])[H])c1ccc(cc1)F |
| SPLASH |
splash10-014i-0090000000-51315d2699896e919d55 |
| Source of Spectrum |
U1-2002-3675-5 |
| Synonyms |
endo-3-(4-Fluorophenyl)-2-(4-tolylsulfonyl)-2-azabicyclo[2.2.2]octan-5-one
3-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonyl]-2-azabicyclo[2.2.2]octan-5-one |
| Wiley ID |
1523409 |
![exo-3-(4-Fluorophenyl)-2-(4-tolylsulfonyl)-2-azabicyclo[2.2.2]octan-5-one](/api/spectrum/62PZwAQ68ns/structure.png?h=300&w=458 "exo-3-(4-Fluorophenyl)-2-(4-tolylsulfonyl)-2-azabicyclo[2.2.2]octan-5-one")
