SpectraBase Spectrum ID |
HiR71srsj88 |
Name |
N,N-Dimethyl-2,6-dinitro-p-phenylenediamine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
226.070204814 u |
Formula |
C8H10N4O4 |
InChI |
InChI=1S/C8H10N4O4/c1-10(2)8-6(11(13)14)3-5(9)4-7(8)12(15)16/h3-4H,9H2,1-2H3 |
InChIKey |
QBSPJPAGKUPZOJ-UHFFFAOYSA-N |
Molecular Weight |
226.192 g/mol |
SMILES |
NC=1C=C(C(=C(C1)N(=O)=O)N(C)C)N(=O)=O |
Spectrum/Structure Validation Score (Raman) |
0.992015 |