| SpectraBase Compound ID | 4YlBCs1YTPv |
|---|---|
| InChI | InChI=1S/C6H7N5O4/c7-5(14)11-10-4(13)2-1-3(12)9-6(15)8-2/h1H,(H,10,13)(H3,7,11,14)(H2,8,9,12,15) |
| InChIKey | QNGMWRMOVJPADJ-UHFFFAOYSA-N |
| Mol Weight | 213.15 g/mol |
| Molecular Formula | C6H7N5O4 |
| Exact Mass | 213.049804 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ca7qcblhX4V |
|---|---|
| Name | Orotyl demicarbazide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.049803721 u |
| Formula | C6H7N5O4 |
| InChI | InChI=1S/C6H7N5O4/c7-5(14)11-10-4(13)2-1-3(12)9-6(15)8-2/h1H,(H,10,13)(H3,7,11,14)(H2,8,9,12,15) |
| InChIKey | QNGMWRMOVJPADJ-UHFFFAOYSA-N |
| SMILES | C1(NC(C=C(N1)C(NNC(=O)N)=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979681 |