![1-[1,1-bis(Hydroxymethyl)-2-hydroxyethyl]-3-(p-fluorophenyl)urea](/api/spectrum/Ev0PTe6PKdB/structure.png?h=300&w=458 "1-[1,1-bis(Hydroxymethyl)-2-hydroxyethyl]-3-(p-fluorophenyl)urea")
| SpectraBase Compound ID | I62bawbfVEl |
|---|---|
| InChI | InChI=1S/C11H15FN2O4/c12-8-1-3-9(4-2-8)13-10(18)14-11(5-15,6-16)7-17/h1-4,15-17H,5-7H2,(H2,13,14,18) |
| InChIKey | FKJZGHGCYYVGIA-UHFFFAOYSA-N |
| Mol Weight | 258.25 g/mol |
| Molecular Formula | C11H15FN2O4 |
| Exact Mass | 258.101585 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ev0PTe6PKdB |
|---|---|
| Name | 1-[1,1-bis(Hydroxymethyl)-2-hydroxyethyl]-3-(p-fluorophenyl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.101585130 u |
| Formula | C11H15FN2O4 |
| InChI | InChI=1S/C11H15FN2O4/c12-8-1-3-9(4-2-8)13-10(18)14-11(5-15,6-16)7-17/h1-4,15-17H,5-7H2,(H2,13,14,18) |
| InChIKey | FKJZGHGCYYVGIA-UHFFFAOYSA-N |
| Molecular Weight | 258.249 g/mol |
| SMILES | N(C1=CC=C(C=C1)F)C(NC(CO)(CO)CO)=O |