SpectraBase Spectrum ID |
AMe5s9X2JPE |
Name |
(1R(*),2R(*),8S(*))-2-Chloro-8-hydroxymethyl-1-methoxy-5-oxo-bicyclo[2.2.2]octane-2-carbonitrile |
CAS Registry Number |
130550-12-8 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C11H14ClNO3 |
InChI |
InChI=1S/C11H14ClNO3/c1-16-11-2-7(5-14)8(9(15)4-11)3-10(11,12)6-13/h7-8,14H,2-5H2,1H3/t7-,8+,10-,11+/m1/s1 |
InChIKey |
UEYJOZILRYZYHK-MKHNBGRSSA-N |
Molecular Weight |
243.690 g/mol |
SMILES |
OC[C@@]1([C@@]2(C[C@]([C@@](CC2=O)(C1)OC)(C#N)Cl)[H])[H] |
SPLASH |
splash10-004i-0930000000-d465b18d157644f35c7a |
Source of Spectrum |
KC-1990-1398-5 |
Synonyms |
(1R,2R,5S)-2-chloro-5-(hydroxymethyl)-1-methoxy-8-oxobicyclo[2.2.2]octane-2-carbonitrile |
Wiley ID |
1245885 |