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(1R(*),2R(*),8S(*))-2-Chloro-8-hydroxymethyl-1-methoxy-5-oxo-bicyclo[2.2.2]octane-2-carbonitrile
SpectraBase Compound ID JB1bMkF6RL4
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
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 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