| SpectraBase Compound ID | AzmXCikFBA9 |
|---|---|
| InChI | InChI=1S/C6H7N3O3/c1-12-6(11)9-5-7-3-2-4(10)8-5/h2-3H,1H3,(H2,7,8,9,10,11) |
| InChIKey | QEXPGFCESHDYRC-UHFFFAOYSA-N |
| Mol Weight | 169.14 g/mol |
| Molecular Formula | C6H7N3O3 |
| Exact Mass | 169.048741 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F5BMJ6Afi7v |
|---|---|
| Name | 2-(Methoxycarbonylamino)pyrimidin-4(3H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.048741094 u |
| Formula | C6H7N3O3 |
| InChI | InChI=1S/C6H7N3O3/c1-12-6(11)9-5-7-3-2-4(10)8-5/h2-3H,1H3,(H2,7,8,9,10,11) |
| InChIKey | QEXPGFCESHDYRC-UHFFFAOYSA-N |
| SMILES | C=1(NC(=O)C=CN1)NC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956776 |