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N-methyl-2,4-dinitro-N-phenylaniline
SpectraBase Compound ID DQzsA5UZqGb
InChI InChI=1S/C13H11N3O4/c1-14(10-5-3-2-4-6-10)12-8-7-11(15(17)18)9-13(12)16(19)20/h2-9H,1H3
InChIKey GRJOQWGGWXHXQQ-UHFFFAOYSA-N
Mol Weight 273.25 g/mol
Molecular Formula C13H11N3O4
Exact Mass 273.074956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECqFbGecLjd
Name N-methyl-2,4-dinitro-N-phenylaniline
Appearance Bright orange crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N3O4
InChI InChI=1S/C13H11N3O4/c1-14(10-5-3-2-4-6-10)12-8-7-11(15(17)18)9-13(12)16(19)20/h2-9H,1H3
InChIKey GRJOQWGGWXHXQQ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901834
Molecular Weight 273.248 g/mol
Reported Formula C13H11N3O4
SMILES c1c(cccc1)N(c1c(cc(cc1)[N+]([O-])=O)[N+]([O-])=O)C
SPLASH splash10-003r-1930000000-2c9d5545392920d8c12d
Source of Spectrum U1-2020-SM32-5q
Thin-Layer Chromatography Rf = 0.80 (dichloromethane)
Wiley ID 1859053