| SpectraBase Compound ID | 9jqWcsH8jlR |
|---|---|
| InChI | InChI=1S/C8H8FN3O2/c9-5-1-3-6(4-2-5)11-8(14)12-7(10)13/h1-4H,(H4,10,11,12,13,14) |
| InChIKey | CLBJAQSKQSWTAF-UHFFFAOYSA-N |
| Mol Weight | 197.17 g/mol |
| Molecular Formula | C8H8FN3O2 |
| Exact Mass | 197.060055 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 60DO3Y7vMSF |
|---|---|
| Name | 1-(4-Fluorophenyl)-biuret |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.060054671 u |
| Formula | C8H8FN3O2 |
| InChI | InChI=1S/C8H8FN3O2/c9-5-1-3-6(4-2-5)11-8(14)12-7(10)13/h1-4H,(H4,10,11,12,13,14) |
| InChIKey | CLBJAQSKQSWTAF-UHFFFAOYSA-N |
| Molecular Weight | 197.169 g/mol |
| SMILES | C(NC(=O)N)(NC=1C=CC(=CC1)F)=O |