| SpectraBase Compound ID | IrVV21IScaw |
|---|---|
| InChI | InChI=1S/C19H15F6N3O2S/c1-29-14-4-3-10(5-15(14)30-2)6-16-26-27-17(31)28(16)13-8-11(18(20,21)22)7-12(9-13)19(23,24)25/h3-5,7-9H,6H2,1-2H3,(H,27,31) |
| InChIKey | NYHAYRMXDCSDSO-UHFFFAOYSA-N |
| Mol Weight | 463.4 g/mol |
| Molecular Formula | C19H15F6N3O2S |
| Exact Mass | 463.078917 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3GfvmU4fzPS |
|---|---|
| Name | 4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-5-veratryl-4H-1,2,4-triazole-3-thiol |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H15F6N3O2S |
| InChI | InChI=1S/C19H15F6N3O2S/c1-29-14-4-3-10(5-15(14)30-2)6-16-26-27-17(31)28(16)13-8-11(18(20,21)22)7-12(9-13)19(23,24)25/h3-5,7-9H,6H2,1-2H3,(H,27,31) |
| InChIKey | NYHAYRMXDCSDSO-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 46073M |
| Solvent | CDCl3 |