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Bicyclo[2.2.2]octane-2-carbonitrile, 2-chloro-5-hydroxy-1-methoxy-8-octyl-, (1.alpha.,2.alpha.,4.beta.,5.beta.,8S*)-
SpectraBase Compound ID LaodGRnHUfS
InChI InChI=1S/C18H30ClNO2/c1-3-4-5-6-7-8-9-14-10-18(22-2)12-16(21)15(14)11-17(18,19)13-20/h14-16,21H,3-12H2,1-2H3/t14-,15-,16-,17+,18-/m0/s1
InChIKey YWSIGUFUAJEAFL-TXTZMMAHSA-N
Mol Weight 327.9 g/mol
Molecular Formula C18H30ClNO2
Exact Mass 327.196507 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKZtnkYzKtE
Name Bicyclo[2.2.2]octane-2-carbonitrile, 2-chloro-5-hydroxy-1-methoxy-8-octyl-, (1.alpha.,2.alpha.,4.beta.,5.beta.,8S*)-
CAS Registry Number 130472-11-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30ClNO2
InChI InChI=1S/C18H30ClNO2/c1-3-4-5-6-7-8-9-14-10-18(22-2)12-16(21)15(14)11-17(18,19)13-20/h14-16,21H,3-12H2,1-2H3/t14-,15-,16-,17+,18-/m0/s1
InChIKey YWSIGUFUAJEAFL-TXTZMMAHSA-N
Molecular Weight 327.896 g/mol
SMILES O[C@]1(C[C@@]2([C@@](C[C@]1([C@](C2)(CCCCCCCC)[H])[H])(C#N)Cl)OC)[H]
SPLASH splash10-0ik9-0690000000-3b760b2e7548b9db8a6c
Source of Spectrum KC-1990-1399-6
Synonyms (1R(*),2R(*),5R(*),8S(*))-2-Chloro-5-hydroxy-1-methoxy-1-methoxy-8-octyl-bicyclo[2.2.2]octane-2-carbonitrile (1R,2R,4S,5S,8S)-2-chloro-5-hydroxy-1-methoxy-8-octylbicyclo[2.2.2]octane-2-carbonitrile
Wiley ID 1325543