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7-(3,4-Dichlorophenyl)-5-cyanomethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine

View entire compound with spectra: 1 MS (GC)

7-(3,4-Dichlorophenyl)-5-cyanomethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine
SpectraBase Compound ID HQRRaqqgns3
InChI InChI=1S/C17H12Cl2N4O2/c1-22-15-14(16(24)23(2)17(22)25)10(5-6-20)8-13(21-15)9-3-4-11(18)12(19)7-9/h3-4,7-8H,5H2,1-2H3
InChIKey CLBXQHBJNOYRBD-UHFFFAOYSA-N
Mol Weight 375.22 g/mol
Molecular Formula C17H12Cl2N4O2
Exact Mass 374.033731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3NxH0liP29
Name 7-(3,4-Dichlorophenyl)-5-cyanomethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine
Alternate Name(s) [7-(3,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl]acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12Cl2N4O2
InChI InChI=1S/C17H12Cl2N4O2/c1-22-15-14(16(24)23(2)17(22)25)10(5-6-20)8-13(21-15)9-3-4-11(18)12(19)7-9/h3-4,7-8H,5H2,1-2H3
InChIKey CLBXQHBJNOYRBD-UHFFFAOYSA-N
Molecular Weight 375.215 g/mol
SMILES C1(N(C(c2c(N1C)nc(cc2CC#N)-c1cc(Cl)c(cc1)Cl)=O)C)=O
SPLASH splash10-0bt9-0009000000-c5fe24a9afc3b7621368
Source of Spectrum SO-0-543-3
Wiley ID 877562