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2-Propen-1-one, 3-(4-chlorophenyl)-1-phenyl-, (2,4-dinitrophenyl)hydrazone
SpectraBase Compound ID KAInBoxbcsh
InChI InChI=1S/C21H15ClN4O4/c22-17-9-7-16(8-10-17)19(12-6-15-4-2-1-3-5-15)23-24-20-13-11-18(25(27)28)14-21(20)26(29)30/h1-14,24H/b12-6+,23-19+
InChIKey YKIXLYZEVOBTHU-ZNERXYTJSA-N
Mol Weight 422.83 g/mol
Molecular Formula C21H15ClN4O4
Exact Mass 422.078183 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JMonnD33Zcg
Name 2-Propen-1-one, 3-(4-chlorophenyl)-1-phenyl-, (2,4-dinitrophenyl)hydrazone
Alternate Name(s) (1E,2E)-1-(4-chlorophenyl)-3-phenyl-2-propen-1-one (2,4-dinitrophenyl)hydrazone 1-Phenyl-3-(p-cholorophenyl)-3-(2,4-dinitrophenylhydrazono)-1-propene
CAS Registry Number 113685-68-0
Comments Less than 3 mono-isotopic peaks
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Formula C21H15ClN4O4
InChI InChI=1S/C21H15ClN4O4/c22-17-9-7-16(8-10-17)19(12-6-15-4-2-1-3-5-15)23-24-20-13-11-18(25(27)28)14-21(20)26(29)30/h1-14,24H/b12-6+,23-19+
InChIKey YKIXLYZEVOBTHU-ZNERXYTJSA-N
Molecular Weight 422.828 g/mol
SMILES N(\N=C/(\C=C\c1ccccc1)c1ccc(cc1)Cl)c1c(N(=O)=O)cc(N(=O)=O)cc1
SPLASH splash10-00di-0000900000-d30399bdd11d74d00c6a
Source of Spectrum J-53-1978-1
Wiley ID 1378505