| SpectraBase Spectrum ID |
CCJhvaX0pD6 |
| Name |
4,4''-Methylenebis[2',4',6'-trinitrodiphenylamine] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
620.088767975 u |
| Formula |
C25H16N8O12 |
| InChI |
InChI=1S/C25H16N8O12/c34-28(35)18-10-20(30(38)39)24(21(11-18)31(40)41)26-16-5-1-14(2-6-16)9-15-3-7-17(8-4-15)27-25-22(32(42)43)12-19(29(36)37)13-23(25)33(44)45/h1-8,10-13,26-27H,9H2 |
| InChIKey |
JDIQRIOAFSAFLQ-UHFFFAOYSA-N |
| Molecular Weight |
620.447 g/mol |
| SMILES |
N(=O)(=O)C=1C=C(C(=C(C1)N(=O)=O)NC=1C=CC(CC2=CC=C(NC3=C(C=C(C=C3N(=O)=O)N(=O)=O)N(=O)=O)C=C2)=CC1)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.971457 |
![4,4''-Methylenebis[2',4',6'-trinitrodiphenylamine]](/api/spectrum/CCJhvaX0pD6/structure.png?h=300&w=458 "4,4''-Methylenebis[2',4',6'-trinitrodiphenylamine]")
