![1-Propanone, 1-phenyl-3-[(1-phenyl-1H-tetrazol-5-yl)thio]-](/api/spectrum/AdkFz8RcSmG/structure.png?h=300&w=458 "1-Propanone, 1-phenyl-3-[(1-phenyl-1H-tetrazol-5-yl)thio]-")
| SpectraBase Compound ID | 2KUSVW6zk5i |
|---|---|
| InChI | InChI=1S/C16H14N4OS/c21-15(13-7-3-1-4-8-13)11-12-22-16-17-18-19-20(16)14-9-5-2-6-10-14/h1-10H,11-12H2 |
| InChIKey | NIIRYJUBXWHDIR-UHFFFAOYSA-N |
| Mol Weight | 310.38 g/mol |
| Molecular Formula | C16H14N4OS |
| Exact Mass | 310.088832 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AdkFz8RcSmG |
|---|---|
| Name | 1-Propanone, 1-phenyl-3-[(1-phenyl-1H-tetrazol-5-yl)thio]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.088832260 u |
| Formula | C16H14N4OS |
| InChI | InChI=1S/C16H14N4OS/c21-15(13-7-3-1-4-8-13)11-12-22-16-17-18-19-20(16)14-9-5-2-6-10-14/h1-10H,11-12H2 |
| InChIKey | NIIRYJUBXWHDIR-UHFFFAOYSA-N |
| Molecular Weight | 310.375 g/mol |
| SMILES | C(=O)(CCSC1=NN=NN1C1=CC=CC=C1)C1=CC=CC=C1 |