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N-butyl-2,4-dinitroaniline
SpectraBase Compound ID BYmj0b27Usy
InChI InChI=1S/C10H13N3O4/c1-2-3-6-11-9-5-4-8(12(14)15)7-10(9)13(16)17/h4-5,7,11H,2-3,6H2,1H3
InChIKey XFLMVRNRVDULNK-UHFFFAOYSA-N
Mol Weight 239.23 g/mol
Molecular Formula C10H13N3O4
Exact Mass 239.090606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48OYsG34kXl
Name N-butyl-2,4-dinitroaniline
Appearance Bright yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13N3O4
InChI InChI=1S/C10H13N3O4/c1-2-3-6-11-9-5-4-8(12(14)15)7-10(9)13(16)17/h4-5,7,11H,2-3,6H2,1H3
InChIKey XFLMVRNRVDULNK-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901834
Molecular Weight 239.231 g/mol
Reported Formula C10H13N3O4
SMILES N(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCCC
SPLASH splash10-0002-0900000000-bea772c6da092f81afd5
Source of Spectrum U1-2020-SM35-5aa
Thin-Layer Chromatography Rf = 0.81 (dichloromethane)
Wiley ID 1859020