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6-Chloro-6-cyano-3,5-diethoxy-2,4-dimethyl-2,4-cyclohexadienone
SpectraBase Compound ID BEzVJrInZ61
InChI InChI=1S/C13H16ClNO3/c1-5-17-10-8(3)11(16)13(14,7-15)12(9(10)4)18-6-2/h5-6H2,1-4H3
InChIKey YLLYCXATMXQOPW-UHFFFAOYSA-N
Mol Weight 269.73 g/mol
Molecular Formula C13H16ClNO3
Exact Mass 269.081871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QBtwUbp7ZZ
Name 6-Chloro-6-cyano-3,5-diethoxy-2,4-dimethyl-2,4-cyclohexadienone
Alternate Name(s) 1-Chloro-2,4-diethoxy-3,5-dimethyl-6-oxo-2,4-cyclohexadiene-1-carbonitrile
CAS Registry Number 97315-65-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16ClNO3
InChI InChI=1S/C13H16ClNO3/c1-5-17-10-8(3)11(16)13(14,7-15)12(9(10)4)18-6-2/h5-6H2,1-4H3
InChIKey YLLYCXATMXQOPW-UHFFFAOYSA-N
Molecular Weight 269.728 g/mol
SMILES C1(C(=C(C)C(=C(C1=O)C)OCC)OCC)(C#N)Cl
SPLASH splash10-004r-0970000000-c5673873ca132557fdef
Source of Spectrum J-50-3227-5
Wiley ID 1273073