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Bicyclo[2.2.2]octane-2-carbonitrile, 2-chloro-1-methoxy-5-oxo-, (1.alpha.,2.alpha.,4.beta.)-
SpectraBase Compound ID ArxqMgUoaIq
InChI InChI=1S/C10H12ClNO2/c1-14-10-3-2-7(8(13)5-10)4-9(10,11)6-12/h7H,2-5H2,1H3/t7-,9+,10-/m1/s1
InChIKey AFWMSWCDHIDWQE-FKTZTGRPSA-N
Mol Weight 213.66 g/mol
Molecular Formula C10H12ClNO2
Exact Mass 213.055656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZEl5kbyZ7B
Name Bicyclo[2.2.2]octane-2-carbonitrile, 2-chloro-1-methoxy-5-oxo-, (1.alpha.,2.alpha.,4.beta.)-
Alternate Name(s) (1R(*),2S(*))-2-chloro-1-methoxy-5-oxobicyclo[2.2.2]octane-2-carbonitrile (1R,2S,4R)-2-chloro-1-methoxy-5-oxobicyclo[2.2.2]octane-2-carbonitrile
CAS Registry Number 129705-12-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12ClNO2
InChI InChI=1S/C10H12ClNO2/c1-14-10-3-2-7(8(13)5-10)4-9(10,11)6-12/h7H,2-5H2,1H3/t7-,9+,10-/m1/s1
InChIKey AFWMSWCDHIDWQE-FKTZTGRPSA-N
Molecular Weight 213.664 g/mol
SMILES [C@@]1([C@@]2(CC([C@@](C1)(CC2)[H])=O)OC)(C#N)Cl
SPLASH splash10-002b-9600000000-b146a5c6da9123c3d84e
Source of Spectrum KC-1990-1407-17
Wiley ID 1212423