| SpectraBase Spectrum ID |
2EHmm5Jiftn |
| Name |
2,4-bis(4-Methylamino-3-nitrobenzyl)-N-methyl-6-nitroaniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
480.175732511 u |
| Formula |
C23H24N6O6 |
| InChI |
InChI=1S/C23H24N6O6/c1-24-18-6-4-14(11-20(18)27(30)31)8-16-10-17(23(26-3)22(13-16)29(34)35)9-15-5-7-19(25-2)21(12-15)28(32)33/h4-7,10-13,24-26H,8-9H2,1-3H3 |
| InChIKey |
JROXTMWGPPVESV-UHFFFAOYSA-N |
| Molecular Weight |
480.481 g/mol |
| SMILES |
C=1(NC)C(=CC(=CC1N(=O)=O)CC=1C=C(C(=CC1)NC)N(=O)=O)CC=1C=C(C(=CC1)NC)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926314 |
