![1-[1,1-bis(hydroxymethyl)-2-hydroxyethyl]-3{4-fluoro-3[trifluoromethyl)thio]phenyl}urea](/api/spectrum/5vGyltdaibm/structure.png?h=300&w=458 "1-[1,1-bis(hydroxymethyl)-2-hydroxyethyl]-3{4-fluoro-3[trifluoromethyl)thio]phenyl}urea")
| SpectraBase Compound ID | CPhIi0OtETh |
|---|---|
| InChI | InChI=1S/C12H14F4N2O4S/c13-8-2-1-7(3-9(8)23-12(14,15)16)17-10(22)18-11(4-19,5-20)6-21/h1-3,19-21H,4-6H2,(H2,17,18,22) |
| InChIKey | MWJITOHLJQTIDT-UHFFFAOYSA-N |
| Mol Weight | 358.31 g/mol |
| Molecular Formula | C12H14F4N2O4S |
| Exact Mass | 358.061041 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5vGyltdaibm |
|---|---|
| Name | 1-[1,1-bis(hydroxymethyl)-2-hydroxyethyl]-3{4-fluoro-3[trifluoromethyl)thio]phenyl}urea |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H14F4N2O4S |
| InChI | InChI=1S/C12H14F4N2O4S/c13-8-2-1-7(3-9(8)23-12(14,15)16)17-10(22)18-11(4-19,5-20)6-21/h1-3,19-21H,4-6H2,(H2,17,18,22) |
| InChIKey | MWJITOHLJQTIDT-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 41469M |
| Solvent | Polysol |