![3-{[(p-CHLOROPHENYL)THIO]METHYL}-5-(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)-1,2,4-OXADIAZOLE](/api/spectrum/86Qs1pHoTWE/structure.png?h=300&w=458 "3-{[(p-CHLOROPHENYL)THIO]METHYL}-5-(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)-1,2,4-OXADIAZOLE")
| SpectraBase Compound ID | LoRc3uranup |
|---|---|
| InChI | InChI=1S/C17H9ClF6N2OS/c18-12-1-3-13(4-2-12)28-8-14-25-15(27-26-14)9-5-10(16(19,20)21)7-11(6-9)17(22,23)24/h1-7H,8H2 |
| InChIKey | YPAPRDCEEREIQN-UHFFFAOYSA-N |
| Mol Weight | 438.78 g/mol |
| Molecular Formula | C17H9ClF6N2OS |
| Exact Mass | 438.002831 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 86Qs1pHoTWE |
|---|---|
| Name | 3-{[(p-chlorophenyl)thio]methyl}-5-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-1,2,4-oxadiazole |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H9ClF6N2OS |
| InChI | InChI=1S/C17H9ClF6N2OS/c18-12-1-3-13(4-2-12)28-8-14-25-15(27-26-14)9-5-10(16(19,20)21)7-11(6-9)17(22,23)24/h1-7H,8H2 |
| InChIKey | YPAPRDCEEREIQN-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 55738M |
| Solvent | CDCl3 |