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Diethyl (4-chlorophenyl)(2-cyanoethyl)propanedioate
SpectraBase Compound ID Ix6XsWobnWS
InChI InChI=1S/C16H18ClNO4/c1-3-21-14(19)16(10-5-11-18,15(20)22-4-2)12-6-8-13(17)9-7-12/h6-9H,3-5,10H2,1-2H3
InChIKey VDYIBFRUPDMSRN-UHFFFAOYSA-N
Mol Weight 323.78 g/mol
Molecular Formula C16H18ClNO4
Exact Mass 323.092436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Epf4b032Ks
Name Diethyl (4-chlorophenyl)(2-cyanoethyl)propanedioate
Alternate Name(s) Diethyl 2-(4-chlorophenyl)-2-(2-cyanoethyl)malonate Diethyl[(4'-chlorophenyl)(2''-cyanoethyl)]propanedioate
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Formula C16H18ClNO4
InChI InChI=1S/C16H18ClNO4/c1-3-21-14(19)16(10-5-11-18,15(20)22-4-2)12-6-8-13(17)9-7-12/h6-9H,3-5,10H2,1-2H3
InChIKey VDYIBFRUPDMSRN-UHFFFAOYSA-N
Molecular Weight 323.776 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)(c1ccc(cc1)Cl)CCC#N
SPLASH splash10-0ftr-3950000000-11f58f83d7d7a93e0e98
Source of Spectrum JA-50-813-0
Wiley ID 1322354