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(E)-[(2S,3R)-2-Chloro-3-hydroxy-3-(4'-hydroxybutyl)cyclohexylidene]acetonitrile

View entire compound with spectra: 1 MS (GC)

(E)-[(2S,3R)-2-Chloro-3-hydroxy-3-(4'-hydroxybutyl)cyclohexylidene]acetonitrile
SpectraBase Compound ID BEvbbyMpVxC
InChI InChI=1S/C12H18ClNO2/c13-11-10(5-8-14)4-3-7-12(11,16)6-1-2-9-15/h5,11,15-16H,1-4,6-7,9H2/b10-5+/t11-,12-/m0/s1
InChIKey CPVOOULJPBFPKP-AMYKANGRSA-N
Mol Weight 243.73 g/mol
Molecular Formula C12H18ClNO2
Exact Mass 243.102607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALncEf01R9j
Name (E)-[(2S,3R)-2-Chloro-3-hydroxy-3-(4'-hydroxybutyl)cyclohexylidene]acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18ClNO2
InChI InChI=1S/C12H18ClNO2/c13-11-10(5-8-14)4-3-7-12(11,16)6-1-2-9-15/h5,11,15-16H,1-4,6-7,9H2/b10-5+/t11-,12-/m0/s1
InChIKey CPVOOULJPBFPKP-AMYKANGRSA-N
Molecular Weight 243.734 g/mol
SMILES O[C@]1(CCCCO)[C@](\C(=C\C#N)CCC1)(Cl)[H]
SPLASH splash10-03di-0900000000-ac6c8856425935452942
Source of Spectrum U-1995-26-0
Synonyms (2E)-[(2S,3R)-2-chloro-3-hydroxy-3-(4-hydroxybutyl)cyclohexylidene]ethanenitrile (E)-[2-Chloro-3-hydroxy-3-(4'-hydroxybutyl)cyclohexylidene]acetonitrile
Wiley ID 766424