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(Z)-[2-Chloro-3-hydroxy-3-(4'-hydroxybutyl)cyclohexylidene]acetonitrile
SpectraBase Compound ID 35QQ0rpek0V
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-
InChIKey CPVOOULJPBFPKP-YHYXMXQVSA-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 F5wqh4oPYX8
Name (Z)-[2-Chloro-3-hydroxy-3-(4'-hydroxybutyl)cyclohexylidene]acetonitrile
Alternate Name(s) (2Z)-[2-chloro-3-hydroxy-3-(4-hydroxybutyl)cyclohexylidene]ethanenitrile
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-
InChIKey CPVOOULJPBFPKP-YHYXMXQVSA-N
Molecular Weight 243.734 g/mol
SMILES OC1(CCCCO)C(\C(=C/C#N)CCC1)Cl
SPLASH splash10-03di-0910000000-08a90186ef8da1493b3c
Source of Spectrum U-1995-26-0
Wiley ID 766423