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2-(4-Chlorophenyl)-2-(cyanomethyl)malonic acid diethyl ester
SpectraBase Compound ID FfNyI7kBU3C
InChI InChI=1S/C15H16ClNO4/c1-3-20-13(18)15(9-10-17,14(19)21-4-2)11-5-7-12(16)8-6-11/h5-8H,3-4,9H2,1-2H3
InChIKey SVTGFAFFZIMYQQ-UHFFFAOYSA-N
Mol Weight 309.75 g/mol
Molecular Formula C15H16ClNO4
Exact Mass 309.076786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fm0geFan7W
Name 2-(4-Chlorophenyl)-2-(cyanomethyl)malonic acid diethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16ClNO4
InChI InChI=1S/C15H16ClNO4/c1-3-20-13(18)15(9-10-17,14(19)21-4-2)11-5-7-12(16)8-6-11/h5-8H,3-4,9H2,1-2H3
InChIKey SVTGFAFFZIMYQQ-UHFFFAOYSA-N
Molecular Weight 309.749 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)(c1ccc(cc1)Cl)CC#N
SPLASH splash10-004i-0960000000-6436db98d76fbeba8287
Source of Spectrum JA-50-813-0
Synonyms 2-(4-Chlorophenyl)-2-(cyanomethyl)propanedioic acid diethyl ester Diethyl 2-(4-chlorophenyl)-2-(cyanomethyl)propanedioate
Wiley ID 1310531