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Bicyclo[2.2.2]octane-2-carbonitrile, 2-chloro-5-hydroxy-8-(hydroxymethyl)-1-methoxy-, (1.alpha.,2.alpha.,4.beta.,5.beta.,8S*)-
SpectraBase Compound ID JN9ISAO9I0Z
InChI InChI=1S/C11H16ClNO3/c1-16-11-2-7(5-14)8(9(15)4-11)3-10(11,12)6-13/h7-9,14-15H,2-5H2,1H3/t7-,8+,9+,10-,11+/m1/s1
InChIKey ZJPIYUUPBBXORK-KJPMQGKISA-N
Mol Weight 245.71 g/mol
Molecular Formula C11H16ClNO3
Exact Mass 245.081871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A37ukpjtuVh
Name Bicyclo[2.2.2]octane-2-carbonitrile, 2-chloro-5-hydroxy-8-(hydroxymethyl)-1-methoxy-, (1.alpha.,2.alpha.,4.beta.,5.beta.,8S*)-
CAS Registry Number 130472-12-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16ClNO3
InChI InChI=1S/C11H16ClNO3/c1-16-11-2-7(5-14)8(9(15)4-11)3-10(11,12)6-13/h7-9,14-15H,2-5H2,1H3/t7-,8+,9+,10-,11+/m1/s1
InChIKey ZJPIYUUPBBXORK-KJPMQGKISA-N
Molecular Weight 245.706 g/mol
SMILES OC[C@@]1([C@@]2(C[C@]([C@@](C[C@@]2(O)[H])(C1)OC)(C#N)Cl)[H])[H]
SPLASH splash10-0a4l-0910000000-a422490058118e516788
Source of Spectrum KC-1990-1398-6
Synonyms (1R(*),2R(*),5R(*),8S(*))-2-Chloro-5-hydroxy-8-hydroxymethyl-1-mehtoxybicyclo[2.2.2]octane-2-carbonitrile (1R,2R,4S,5S,8S)-2-chloro-5-hydroxy-8-(hydroxymethyl)-1-methoxybicyclo[2.2.2]octane-2-carbonitrile
Wiley ID 1247817