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4-(3,4-Dimethylanilino)-3,5-dinitrobenzoic acid

View entire compound with spectra: 2 MS (GC)

4-(3,4-Dimethylanilino)-3,5-dinitrobenzoic acid
SpectraBase Compound ID 9KiBxvFTrgM
InChI InChI=1S/C15H13N3O6/c1-8-3-4-11(5-9(8)2)16-14-12(17(21)22)6-10(15(19)20)7-13(14)18(23)24/h3-7,16H,1-2H3,(H,19,20)
InChIKey AACJWVBOCTXKHN-UHFFFAOYSA-N
Mol Weight 331.28 g/mol
Molecular Formula C15H13N3O6
Exact Mass 331.080435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G0tKtTi2i4g
Name 3,5-DINITRO-4-(3,4-XYLIDINO)BENZOIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H13N3O6
InChI InChI=1S/C15H13N3O6/c1-8-3-4-11(5-9(8)2)16-14-12(17(21)22)6-10(15(19)20)7-13(14)18(23)24/h3-7,16H,1-2H3,(H,19,20)
InChIKey AACJWVBOCTXKHN-UHFFFAOYSA-N
Molecular Weight 331.0801
SMILES N(c1ccc(C)c(C)c1)c1c(cc(C(O)=O)cc1N(=O)=O)N(=O)=O
SPLASH splash10-002e-9300000000-4966976e260bb1d456c3
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany