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2-[(4-Chlorophenyl)carbonyl]-2-methoxy-4-oxopentanedinitrile
SpectraBase Compound ID HAq80TA2O6A
InChI InChI=1S/C13H9ClN2O3/c1-19-13(8-16,6-11(17)7-15)12(18)9-2-4-10(14)5-3-9/h2-5H,6H2,1H3
InChIKey ZJNGVDXULMFOER-UHFFFAOYSA-N
Mol Weight 276.68 g/mol
Molecular Formula C13H9ClN2O3
Exact Mass 276.03017 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6frOdgYtMPE
Name 2-[(4-Chlorophenyl)carbonyl]-2-methoxy-4-oxopentanedinitrile
Alternate Name(s) 4-(4-Chlorophenyl)-3-cyano-3-methoxy-4-oxobutanoyl cyanide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9ClN2O3
InChI InChI=1S/C13H9ClN2O3/c1-19-13(8-16,6-11(17)7-15)12(18)9-2-4-10(14)5-3-9/h2-5H,6H2,1H3
InChIKey ZJNGVDXULMFOER-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.200890159
Molecular Weight 276.679 g/mol
SMILES C(#N)C(C(=O)c1ccc(cc1)Cl)(OC)CC(C#N)=O
SPLASH splash10-01tl-0490000000-cb6a75162283ba19d987
Source of Spectrum H-91-1468-7c
Wiley ID 1785755