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4-[4-(dimethylamino)-2-nitro-phenyl]-N,N-dimethyl-3-nitro-aniline
SpectraBase Compound ID 1QPnrSzj89i
InChI InChI=1S/C16H18N4O4/c1-17(2)11-5-7-13(15(9-11)19(21)22)14-8-6-12(18(3)4)10-16(14)20(23)24/h5-10H,1-4H3
InChIKey KKWGFQSZWNFLGG-UHFFFAOYSA-N
Mol Weight 330.34 g/mol
Molecular Formula C16H18N4O4
Exact Mass 330.132805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ddz9GsLemv0
Name 4-[4-(dimethylamino)-2-nitro-phenyl]-N,N-dimethyl-3-nitro-aniline
CAS Registry Number 53094-36-3
Comments Removed - expert review: contamination (chloroform))
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N4O4
InChI InChI=1S/C16H18N4O4/c1-17(2)11-5-7-13(15(9-11)19(21)22)14-8-6-12(18(3)4)10-16(14)20(23)24/h5-10H,1-4H3
InChIKey KKWGFQSZWNFLGG-UHFFFAOYSA-N
Molecular Weight 330.344 g/mol
SMILES c1(N(=O)=O)c(-c2c(N(=O)=O)cc(cc2)N(C)C)ccc(c1)N(C)C
SPLASH splash10-0fcc-2793000000-1fa01ad6f0fed9741124
Source of Spectrum AI-307-458-2
Synonyms [4-[4-(dimethylamino)-2-nitro-phenyl]-3-nitro-phenyl]-dimethyl-amine
Wiley ID 1327622