| SpectraBase Spectrum ID |
6mJxvfjWk8g |
| Name |
4,4'-Methylenebis[3-nitroaniline] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.085854878 u |
| Formula |
C13H12N4O4 |
| InChI |
InChI=1S/C13H12N4O4/c14-10-3-1-8(12(6-10)16(18)19)5-9-2-4-11(15)7-13(9)17(20)21/h1-4,6-7H,5,14-15H2 |
| InChIKey |
KENYTAOVAUETRB-UHFFFAOYSA-N |
| Molecular Weight |
288.263 g/mol |
| SMILES |
N(=O)(=O)C=1C=C(C=CC1CC=1C(=CC(=CC1)N)N(=O)=O)N |
| Spectrum/Structure Validation Score (Raman) |
0.947026 |
