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(1R(*),2S(*),8S(*))-2-Chloro-8-hydroxymethyl-1-methoxy-5-oxo-bicyclo[2.2.2]octane-2-carbonitrile
SpectraBase Compound ID 3mE5qRdDsEw
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-IFFSRLJSSA-N
Mol Weight 243.69 g/mol
Molecular Formula C11H14ClNO3
Exact Mass 243.066221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ky8XHljLvKy
Name (1R(*),2S(*),8S(*))-2-Chloro-8-hydroxymethyl-1-methoxy-5-oxo-bicyclo[2.2.2]octane-2-carbonitrile
CAS Registry Number 130472-07-0
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-IFFSRLJSSA-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-0950000000-f5cb980bcfdfe735e703
Source of Spectrum KC-1990-1398-5
Synonyms (1R,2S,5S)-2-chloro-5-(hydroxymethyl)-1-methoxy-8-oxobicyclo[2.2.2]octane-2-carbonitrile
Wiley ID 1245886