| SpectraBase Compound ID | 5Q4wAtUs01R |
|---|---|
| InChI | InChI=1S/C13H14N4S/c1-3-7-11(8-4-1)17-13(14-15-16-17)18-12-9-5-2-6-10-12/h1,3-5,7-9,12H,2,6,10H2 |
| InChIKey | OCUQYKJLGRASNE-UHFFFAOYSA-N |
| Mol Weight | 258.34 g/mol |
| Molecular Formula | C13H14N4S |
| Exact Mass | 258.093918 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fp1fZQQ2diF |
|---|---|
| Name | 1H-Tetrazole, 5-(2-cyclohexen-1-ylthio)-1-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.093917641 u |
| Formula | C13H14N4S |
| InChI | InChI=1S/C13H14N4S/c1-3-7-11(8-4-1)17-13(14-15-16-17)18-12-9-5-2-6-10-12/h1,3-5,7-9,12H,2,6,10H2 |
| InChIKey | OCUQYKJLGRASNE-UHFFFAOYSA-N |
| Molecular Weight | 258.343 g/mol |
| SMILES | C=1(N(N=NN1)C=1C=CC=CC1)SC1C=CCCC1 |