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N1,N3-Bis(4-butylphenyl)-4,6-dinitrobenzene-1,3-diamine
SpectraBase Compound ID 8nJ2VTF2jtv
InChI InChI=1S/C26H30N4O4/c1-3-5-7-19-9-13-21(14-10-19)27-23-17-24(26(30(33)34)18-25(23)29(31)32)28-22-15-11-20(12-16-22)8-6-4-2/h9-18,27-28H,3-8H2,1-2H3
InChIKey XNLFTECLPXBPNN-UHFFFAOYSA-N
Mol Weight 462.55 g/mol
Molecular Formula C26H30N4O4
Exact Mass 462.226705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fyo2g3lRVqx
Name N1,N3-Bis(4-butylphenyl)-4,6-dinitrobenzene-1,3-diamine
Appearance Pale orange plates
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.226705458 u
Formula C26H30N4O4
InChI InChI=1S/C26H30N4O4/c1-3-5-7-19-9-13-21(14-10-19)27-23-17-24(26(30(33)34)18-25(23)29(31)32)28-22-15-11-20(12-16-22)8-6-4-2/h9-18,27-28H,3-8H2,1-2H3
InChIKey XNLFTECLPXBPNN-UHFFFAOYSA-N
Instrument Name Finnigan MAT SSQ 710
Ionization Type EI
Literature Reference DOI 10.1002/chem.201500230
Molecular Weight 462.550 g/mol
SMILES N(C1=CC=C(CCCC)C=C1)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC1=CC=C(CCCC)C=C1
SPLASH splash10-03di-0102900000-5e3d27de6d918006f1c0
Source of Spectrum QE-21-SM8-8b (DOI: 10.1002/chem.201500230)
Wiley ID 1909101