| SpectraBase Spectrum ID |
Ha97h2Ci1L7 |
| Name |
3-Iodanyl-4-(2-iodanyl-4-nitro-phenyl)aniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
465.867517504 u |
| Formula |
C12H8I2N2O2 |
| InChI |
InChI=1S/C12H8I2N2O2/c13-11-5-7(15)1-3-9(11)10-4-2-8(16(17)18)6-12(10)14/h1-6H,15H2 |
| InChIKey |
ZQGBBLHEUWXBFE-UHFFFAOYSA-N |
| Molecular Weight |
466.017 g/mol |
| SMILES |
C=1(N(=O)=O)C=C(I)C(=CC1)C=1C(=CC(=CC1)N)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938766 |
