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4-((Z)-[(2-Chlorophenyl)imino]methyl)phenyl 3,5-dinitrobenzoate
SpectraBase Compound ID L5998hISCaa
InChI InChI=1S/C20H12ClN3O6/c21-18-3-1-2-4-19(18)22-12-13-5-7-17(8-6-13)30-20(25)14-9-15(23(26)27)11-16(10-14)24(28)29/h1-12H/b22-12+
InChIKey VVDFNFCKGVKPNN-WSDLNYQXSA-N
Mol Weight 425.78 g/mol
Molecular Formula C20H12ClN3O6
Exact Mass 425.041463 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Oc8vZAviNs
Name 4-((Z)-[(2-Chlorophenyl)imino]methyl)phenyl 3,5-dinitrobenzoate
Alternate Name(s) 4-{(E)-[(2-chlorophenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
CAS Registry Number 300726-08-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12ClN3O6
InChI InChI=1S/C20H12ClN3O6/c21-18-3-1-2-4-19(18)22-12-13-5-7-17(8-6-13)30-20(25)14-9-15(23(26)27)11-16(10-14)24(28)29/h1-12H/b22-12+
InChIKey VVDFNFCKGVKPNN-WSDLNYQXSA-N
Molecular Weight 425.784 g/mol
SMILES c1c(cc(cc1N(=O)=O)C(=O)Oc1ccc(cc1)\C=N\c1c(cccc1)Cl)N(=O)=O
SPLASH splash10-004j-6900300000-71bef095c91a48ae14cb
Wiley ID 1468107