| SpectraBase Compound ID | E42HfoLzuI8 |
|---|---|
| InChI | InChI=1S/C8H6ClN3O/c9-4-1-2-5-6(3-4)11-8(10)12-7(5)13/h1-3H,(H3,10,11,12,13) |
| InChIKey | AYQNXSWNEYAFSB-UHFFFAOYSA-N |
| Mol Weight | 195.61 g/mol |
| Molecular Formula | C8H6ClN3O |
| Exact Mass | 195.01994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KtNqobp75dP |
|---|---|
| Name | 2-Amino-7-chloro-4-quinazolone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.019939524 u |
| Formula | C8H6ClN3O |
| InChI | InChI=1S/C8H6ClN3O/c9-4-1-2-5-6(3-4)11-8(10)12-7(5)13/h1-3H,(H3,10,11,12,13) |
| InChIKey | AYQNXSWNEYAFSB-UHFFFAOYSA-N |
| Molecular Weight | 195.609 g/mol |
| SMILES | C12=C(C=CC(=C2)Cl)C(NC(=N1)N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908388 |