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(E)-[2-Chloro-3-hydroxy-3-(4'-acetoxybutyl)cyclohexylidene]acetonitrile
SpectraBase Compound ID BxYgvPDfspR
InChI InChI=1S/C14H20ClNO3/c1-11(17)19-10-3-2-7-14(18)8-4-5-12(6-9-16)13(14)15/h6,13,18H,2-5,7-8,10H2,1H3/b12-6+
InChIKey ASMXMWOMYVWFIM-WUXMJOGZSA-N
Mol Weight 285.77 g/mol
Molecular Formula C14H20ClNO3
Exact Mass 285.113171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQyRMtjhZfY
Name (E)-[2-Chloro-3-hydroxy-3-(4'-acetoxybutyl)cyclohexylidene]acetonitrile
Alternate Name(s) 4-[(3E)-2-chloro-3-(cyanomethylene)-1-hydroxycyclohexyl]butyl acetate
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Formula C14H20ClNO3
InChI InChI=1S/C14H20ClNO3/c1-11(17)19-10-3-2-7-14(18)8-4-5-12(6-9-16)13(14)15/h6,13,18H,2-5,7-8,10H2,1H3/b12-6+
InChIKey ASMXMWOMYVWFIM-WUXMJOGZSA-N
Molecular Weight 285.771 g/mol
SMILES OC1(C(\C(=C\C#N)CCC1)Cl)CCCCOC(=O)C
SPLASH splash10-03di-0910000000-78fd8ae4e703607fb262
Source of Spectrum U-1995-26-0
Wiley ID 766422