| SpectraBase Spectrum ID |
8ZkVoxfcxX6 |
| Name |
4'-Iodo-2,4,6-trinitrophenylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
429.941028955 u |
| Formula |
C12H7IN4O6 |
| InChI |
InChI=1S/C12H7IN4O6/c13-7-1-3-8(4-2-7)14-12-10(16(20)21)5-9(15(18)19)6-11(12)17(22)23/h1-6,14H |
| InChIKey |
YWYPPOIUFVFEQK-UHFFFAOYSA-N |
| Molecular Weight |
430.114 g/mol |
| SMILES |
N(C=1C=CC(=CC1)I)C=1C(=CC(=CC1N(=O)=O)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.918179 |
