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[3-Acetoxy-3-(4'-acetoxybutyl)-2-chlorocyclohexylidene]acetonitrile
SpectraBase Compound ID 1v9CC2LdzXF
InChI InChI=1S/C16H22ClNO4/c1-12(19)21-11-4-3-8-16(22-13(2)20)9-5-6-14(7-10-18)15(16)17/h7,15H,3-6,8-9,11H2,1-2H3/b14-7+
InChIKey RJOUZDHLOLGWMQ-VGOFMYFVSA-N
Mol Weight 327.81 g/mol
Molecular Formula C16H22ClNO4
Exact Mass 327.123736 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjMIqTGXUJt
Name [3-Acetoxy-3-(4'-acetoxybutyl)-2-chlorocyclohexylidene]acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22ClNO4
InChI InChI=1S/C16H22ClNO4/c1-12(19)21-11-4-3-8-16(22-13(2)20)9-5-6-14(7-10-18)15(16)17/h7,15H,3-6,8-9,11H2,1-2H3/b14-7+
InChIKey RJOUZDHLOLGWMQ-VGOFMYFVSA-N
Molecular Weight 327.808 g/mol
SMILES C1(C(\C(=C\C#N)CCC1)Cl)(OC(=O)C)CCCCOC(=O)C
SPLASH splash10-03fr-0962000000-1186ce64d4d1429ecf08
Source of Spectrum U-1995-26-0
Synonyms (3E)-1-[4-(acetyloxy)butyl]-2-chloro-3-(cyanomethylene)cyclohexyl acetate
Wiley ID 766420