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2,4-Dichloro-N-cyanomethyl-N-methyl-3,5-dinitrobenzamide
SpectraBase Compound ID Hjojv8fng6K
InChI InChI=1S/C10H6Cl2N4O5/c1-14(3-2-13)10(17)5-4-6(15(18)19)8(12)9(7(5)11)16(20)21/h4H,3H2,1H3
InChIKey UKDRSKFSWNMCSD-UHFFFAOYSA-N
Mol Weight 333.09 g/mol
Molecular Formula C10H6Cl2N4O5
Exact Mass 331.971525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EuRKGLuWcVI
Name 2,4-Dichloro-N-cyanomethyl-N-methyl-3,5-dinitrobenzamide
Alternate Name(s) 2,4-Dichloro-N-(cyanomethyl)-N-methyl-3,5-dinitrobenzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H6Cl2N4O5
InChI InChI=1S/C10H6Cl2N4O5/c1-14(3-2-13)10(17)5-4-6(15(18)19)8(12)9(7(5)11)16(20)21/h4H,3H2,1H3
InChIKey UKDRSKFSWNMCSD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.1245
Molecular Weight 333.087 g/mol
SMILES c1(cc(c(c(c1Cl)[N+]([O-])=O)Cl)C(=O)N(CC#N)C)[N+]([O-])=O
SPLASH splash10-02t9-2291000000-127c5cb9a22ee57d8965
Source of Spectrum RCM-17-2571-9
Wiley ID 1819938