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2,4-Dinitrodiphenylamine

View entire compound with spectra: 5 NMR, 5 FTIR, 1 Raman, 1 UV-Vis, and 3 MS (GC)

2,4-Dinitrodiphenylamine
SpectraBase Compound ID 3nPmSXmPOE2
InChI InChI=1S/C12H9N3O4/c16-14(17)10-6-7-11(12(8-10)15(18)19)13-9-4-2-1-3-5-9/h1-8,13H
InChIKey RHTVQEPJVKUMPI-UHFFFAOYSA-N
Mol Weight 259.22 g/mol
Molecular Formula C12H9N3O4
Exact Mass 259.059306 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K9pl6lj83TF
Name 2,4-Dinitrodiphenylamine
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 117994
CAS Registry Number 961-68-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3O4
InChI InChI=1S/C12H9N3O4/c16-14(17)10-6-7-11(12(8-10)15(18)19)13-9-4-2-1-3-5-9/h1-8,13H
InChIKey RHTVQEPJVKUMPI-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2,4-Dinitro-N-phenylaniline
Wiley ID SIAL_13CNMR_000508