| SpectraBase Compound ID | LyQ5mdwQdPu |
|---|---|
| InChI | InChI=1S/C8H5IN2O2/c9-5-3-1-2-4-6(5)10-8(13)11-7(4)12/h1-3H,(H2,10,11,12,13) |
| InChIKey | IXRBNJRIAAWODM-UHFFFAOYSA-N |
| Mol Weight | 288.04 g/mol |
| Molecular Formula | C8H5IN2O2 |
| Exact Mass | 287.939572 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BEqnZ9mbVmR |
|---|---|
| Name | 2,4(1H,3H)-Quinazolinedione, 8-iodo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.939572407 u |
| Formula | C8H5IN2O2 |
| InChI | InChI=1S/C8H5IN2O2/c9-5-3-1-2-4-6(5)10-8(13)11-7(4)12/h1-3H,(H2,10,11,12,13) |
| InChIKey | IXRBNJRIAAWODM-UHFFFAOYSA-N |
| Molecular Weight | 288.044 g/mol |
| SMILES | C1(I)=C2NC(NC(C2=CC=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91735 |