| SpectraBase Compound ID | 2gGbV9mpd73 |
|---|---|
| InChI | InChI=1S/C8H9N3O2/c9-7(12)11-8(13)10-6-4-2-1-3-5-6/h1-5H,(H4,9,10,11,12,13) |
| InChIKey | MJJSNLJGOXWVEU-UHFFFAOYSA-N |
| Mol Weight | 179.18 g/mol |
| Molecular Formula | C8H9N3O2 |
| Exact Mass | 179.069477 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CpUWjDX7gOP |
|---|---|
| Name | 1-Phenylbiuret |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.069476540 u |
| Formula | C8H9N3O2 |
| InChI | InChI=1S/C8H9N3O2/c9-7(12)11-8(13)10-6-4-2-1-3-5-6/h1-5H,(H4,9,10,11,12,13) |
| InChIKey | MJJSNLJGOXWVEU-UHFFFAOYSA-N |
| Molecular Weight | 179.179 g/mol |
| SMILES | C1=C(C=CC=C1)NC(=O)NC(N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957359 |