| SpectraBase Compound ID | 3pQOjpLDq64 |
|---|---|
| InChI | InChI=1S/C17H14F3N3OS/c18-17(19,20)12-2-1-3-13(10-12)23-15(21-22-16(23)25)9-6-11-4-7-14(24)8-5-11/h1-5,7-8,10,24H,6,9H2,(H,22,25) |
| InChIKey | ROVLWEOFWYJBHX-UHFFFAOYSA-N |
| Mol Weight | 365.37 g/mol |
| Molecular Formula | C17H14F3N3OS |
| Exact Mass | 365.080968 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 19t2UN7o8Yd |
|---|---|
| Name | 3-(p-hydroxyphenethyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-delta square-1,2,4-triazoline-5-thione |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H14F3N3OS |
| InChI | InChI=1S/C17H14F3N3OS/c18-17(19,20)12-2-1-3-13(10-12)23-15(21-22-16(23)25)9-6-11-4-7-14(24)8-5-11/h1-5,7-8,10,24H,6,9H2,(H,22,25) |
| InChIKey | ROVLWEOFWYJBHX-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 61167M |
| Solvent | DMSO-d6 |