| SpectraBase Spectrum ID |
IYSvlCAW3Ne |
| Name |
Bicyclo[2.2.2]octane-2-carbonitrile, 2-chloro-4-(2-hydroxyethyl)-1-methoxy-5-methyl-8-oxo-, (1.alpha.,2.beta.,4.beta.,5.beta.)- |
| CAS Registry Number |
130472-25-2 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18ClNO3 |
| InChI |
InChI=1S/C13H18ClNO3/c1-9-5-13(18-2)6-10(17)11(9,3-4-16)7-12(13,14)8-15/h9,16H,3-7H2,1-2H3/t9-,11-,12-,13-/m0/s1 |
| InChIKey |
KUWMQAWRFHYJLV-XYJRDEOASA-N |
| Molecular Weight |
271.744 g/mol |
| SMILES |
OCC[C@]12C(C[C@](C[C@@]2(C)[H])(OC)[C@](C1)(C#N)Cl)=O |
| SPLASH |
splash10-01rx-9500000000-ed2cb46cda73f58879b9 |
| Source of Spectrum |
KC-1990-1399-25 |
| Synonyms |
(1R,2S,4S,5S)-2-chloro-4-(2-hydroxyethyl)-1-methoxy-5-methyl-8-oxobicyclo[2.2.2]octane-2-carbonitrile
2-Chloro-4-(2'-hydroxyethyl)-1-methoxy-8-methyl-5-oxobi-cyclo[2.2.2]octane-2-carbonitrile |
| Wiley ID |
1275160 |
![2-Chloro-4-(2'-hydroxyethyl)-1-methoxy-8-methyl-5-oxobi-cyclo[2.2.2]octane-2-carbonitrile](/api/spectrum/IYSvlCAW3Ne/structure.png?h=300&w=458 "2-Chloro-4-(2'-hydroxyethyl)-1-methoxy-8-methyl-5-oxobi-cyclo[2.2.2]octane-2-carbonitrile")
