![6-[(3-NITRO-2-PYRIDYL)THIO]-alpha,alpha,alpha-TRIFLUORO-m-TOLUIDINE (HIGH MELTING ISOMER)](/api/spectrum/7QbuCHnuLHX/structure.png?h=300&w=458 "6-[(3-NITRO-2-PYRIDYL)THIO]-alpha,alpha,alpha-TRIFLUORO-m-TOLUIDINE (HIGH MELTING ISOMER)")
| SpectraBase Compound ID | 8KnRieTzBIC |
|---|---|
| InChI | InChI=1S/C12H8F3N3O2S/c13-12(14,15)7-3-4-10(8(16)6-7)21-11-9(18(19)20)2-1-5-17-11/h1-6H,16H2 |
| InChIKey | AOWDAQLMXGMIMZ-UHFFFAOYSA-N |
| Mol Weight | 315.27 g/mol |
| Molecular Formula | C12H8F3N3O2S |
| Exact Mass | 315.028932 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7QbuCHnuLHX |
|---|---|
| Name | 6-[(3-nitro-2-pyridyl)thio]-alpha,alpha,alpha-trifluoro-m-toluidine(high melting isomer) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H8F3N3O2S |
| InChI | InChI=1S/C12H8F3N3O2S/c13-12(14,15)7-3-4-10(8(16)6-7)21-11-9(18(19)20)2-1-5-17-11/h1-6H,16H2 |
| InChIKey | AOWDAQLMXGMIMZ-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 36782M |
| Solvent | CDCl3 |