| SpectraBase Compound ID | 8u1vrOeK0Qg |
|---|---|
| InChI | InChI=1S/C8H7IN2O3/c1-5(12)10-7-3-2-6(9)4-8(7)11(13)14/h2-4H,1H3,(H,10,12) |
| InChIKey | PLRRDWQISKEZPC-UHFFFAOYSA-N |
| Mol Weight | 306.06 g/mol |
| Molecular Formula | C8H7IN2O3 |
| Exact Mass | 305.950137 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8v6aVSJMLc8 |
|---|---|
| Name | 4-Iodo-2-nitroaniline, ac derivative |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.950137090 u |
| Formula | C8H7IN2O3 |
| InChI | InChI=1S/C8H7IN2O3/c1-5(12)10-7-3-2-6(9)4-8(7)11(13)14/h2-4H,1H3,(H,10,12) |
| InChIKey | PLRRDWQISKEZPC-UHFFFAOYSA-N |
| Molecular Weight | 306.059 g/mol |
| SMILES | C1(I)=CC(=C(C=C1)NC(C)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.84131 |