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(1R(*),2R(*),5S(*),8R(*))-2-Chloro-5-hydroxy-1-methoxy-8-methylbicyclo[2.2.2]-octane-2-carbonitrile
SpectraBase Compound ID LndWmoum6st
InChI InChI=1S/C11H16ClNO2/c1-7-3-11(15-2)5-9(14)8(7)4-10(11,12)6-13/h7-9,14H,3-5H2,1-2H3/t7-,8+,9+,10-,11-/m1/s1
InChIKey VETOVAAPPIEIHE-ZKKRXERASA-N
Mol Weight 229.71 g/mol
Molecular Formula C11H16ClNO2
Exact Mass 229.086956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EgkHWmQdzVq
Name (1R(*),2R(*),5S(*),8R(*))-2-Chloro-5-hydroxy-1-methoxy-8-methylbicyclo[2.2.2]-octane-2-carbonitrile
CAS Registry Number 130550-05-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16ClNO2
InChI InChI=1S/C11H16ClNO2/c1-7-3-11(15-2)5-9(14)8(7)4-10(11,12)6-13/h7-9,14H,3-5H2,1-2H3/t7-,8+,9+,10-,11-/m1/s1
InChIKey VETOVAAPPIEIHE-ZKKRXERASA-N
Molecular Weight 229.707 g/mol
SMILES O[C@]1(C[C@]2([C@@](C[C@]1([C@@](C2)(C)[H])[H])(C#N)Cl)OC)[H]
SPLASH splash10-0udi-0900000000-cdc6877c745e7dbf34fd
Source of Spectrum KC-1990-1394-19
Synonyms Bicyclo[2.2.2]octane-2-carbonitrile, 2-chloro-5-hydroxy-1-methoxy-8-methyl-, (1.alpha.,2.alpha.,4.beta.,5.beta.,8R*)- (1R(*),2R(*),5R(*),8R(*))-2-Chloro-5-hydroxy-1-methoxy-8-methyl-bicyclo[2.2.2]octane-2-carbonitrile (1R,2R,4S,5S,8R)-2-chloro-5-hydroxy-1-methoxy-8-methylbicyclo[2.2.2]octane-2-carbonitrile
Wiley ID 1230620