| SpectraBase Compound ID | LFKygJg4l0J |
|---|---|
| InChI | InChI=1S/C5H4FN3O3/c6-1-2(3(7)10)8-5(12)9-4(1)11/h(H2,7,10)(H2,8,9,11,12) |
| InChIKey | NTKJQZWTCQNYEE-UHFFFAOYSA-N |
| Mol Weight | 173.1 g/mol |
| Molecular Formula | C5H4FN3O3 |
| Exact Mass | 173.023669 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4cEt3V7cJbK |
|---|---|
| Name | 5-Fluoroorotic amide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.023669161 u |
| Formula | C5H4FN3O3 |
| InChI | InChI=1S/C5H4FN3O3/c6-1-2(3(7)10)8-5(12)9-4(1)11/h(H2,7,10)(H2,8,9,11,12) |
| InChIKey | NTKJQZWTCQNYEE-UHFFFAOYSA-N |
| Molecular Weight | 173.103 g/mol |
| SMILES | C1(NC(C(=C(N1)C(=O)N)F)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.986449 |