| SpectraBase Spectrum ID |
HZE44OZUKoq |
| Name |
1-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-oxo-, ethyl ester |
| CAS Registry Number |
22207-79-0 |
| Comments |
Note: The molecular formula of the structure shown is C10H15NO3 - which differs from the formula reported for the mass spectrum (C10H10D5NO3) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H10D5NO3 |
| InChI |
InChI=1S/C10H15NO3/c1-2-14-10(13)8-5-7-3-4-11(8)6-9(7)12/h7-8H,2-6H2,1H3/t7-,8?/m1/s1 |
| InChIKey |
VUSQAOWTWXHDRE-GVHYBUMESA-N |
| Molecular Weight |
197.234 g/mol |
| SMILES |
C(OCC)(=O)C1N2CC([C@@](C1)(CC2)[H])=O |
| SPLASH |
splash10-00kg-9200000000-9e1b08d4e0887a2ced82 |
| Source of Spectrum |
OS-5-405-0 |
| Synonyms |
Ethyl 5-oxoquinuclidine-2-carboxylate
2-Quinuclidinecarboxylic acid, 5-oxo-, ethyl ester
5-ketoquinuclidine-2-carboxylic acid ethyl ester
5-Oxo-1-azabicyclo[2.2.2]octane-2-carboxylic acid ethyl ester
Ethyl 5-oxidanylidene-1-azabicyclo[2.2.2]octane-2-carboxylate
Ethyl 5-oxo-1-azabicyclo[2.2.2]octane-2-carboxylate
Ethyl 5-quinuclidone-2-carboxylate |
| Wiley ID |
91615 |
![1-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-oxo-, ethyl ester](/api/spectrum/HZE44OZUKoq/structure.png?h=300&w=458 "1-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-oxo-, ethyl ester")
