| SpectraBase Compound ID | 9D79ndrOLP3 |
|---|---|
| InChI | InChI=1S/C16H13N5O2S/c1-2-11-23-15(22)13-9-6-10-17-14(13)24-16-18-19-20-21(16)12-7-4-3-5-8-12/h2-10H,1,11H2 |
| InChIKey | GJYTXJSGDANCOY-UHFFFAOYSA-N |
| Mol Weight | 339.37 g/mol |
| Molecular Formula | C16H13N5O2S |
| Exact Mass | 339.078996 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1jM0UmtzztO |
|---|---|
| Name | Allyl 2-(1-phenyl-1H-5-tetrazolylthio)pyridine-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.078995851 u |
| Formula | C16H13N5O2S |
| InChI | InChI=1S/C16H13N5O2S/c1-2-11-23-15(22)13-9-6-10-17-14(13)24-16-18-19-20-21(16)12-7-4-3-5-8-12/h2-10H,1,11H2 |
| InChIKey | GJYTXJSGDANCOY-UHFFFAOYSA-N |
| Molecular Weight | 339.373 g/mol |
| SMILES | C=1(N(N=NN1)c1ccccc1)Sc1c(C(=O)OCC=C)cccn1 |