![4-methyl-3-[(p-methylbenzyl)thio]-5-(3-thenyl)-4H-1,2,4-triazole](/api/spectrum/8VrWNMhgVa2/structure.png?h=300&w=458 "4-methyl-3-[(p-methylbenzyl)thio]-5-(3-thenyl)-4H-1,2,4-triazole")
| SpectraBase Compound ID | G52rDY2lkin |
|---|---|
| InChI | InChI=1S/C16H17N3S2/c1-12-3-5-13(6-4-12)11-21-16-18-17-15(19(16)2)9-14-7-8-20-10-14/h3-8,10H,9,11H2,1-2H3 |
| InChIKey | PNUUHXCYDOKBBW-UHFFFAOYSA-N |
| Mol Weight | 315.45 g/mol |
| Molecular Formula | C16H17N3S2 |
| Exact Mass | 315.08639 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8VrWNMhgVa2 |
|---|---|
| Name | 4-methyl-3-[(p-methylbenzyl)thio]-5-(3-thenyl)-4H-1,2,4-triazole |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H17N3S2 |
| InChI | InChI=1S/C16H17N3S2/c1-12-3-5-13(6-4-12)11-21-16-18-17-15(19(16)2)9-14-7-8-20-10-14/h3-8,10H,9,11H2,1-2H3 |
| InChIKey | PNUUHXCYDOKBBW-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 58321M |
| Solvent | CDCl3 |