![5-{[(1S,2S)-2-chlorocyclohexyl]sulfanyl}-1-phenyl-1H-tetraazole](/api/spectrum/LC6iYpkFpI8/structure.png?h=300&w=458 "5-{[(1S,2S)-2-chlorocyclohexyl]sulfanyl}-1-phenyl-1H-tetraazole")
| SpectraBase Compound ID | 5mqco8a2Ja5 |
|---|---|
| InChI | InChI=1S/C13H15ClN4S/c14-11-8-4-5-9-12(11)19-13-15-16-17-18(13)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2 |
| InChIKey | HAQCAOOTKPRGSU-UHFFFAOYSA-N |
| Mol Weight | 294.8 g/mol |
| Molecular Formula | C13H15ClN4S |
| Exact Mass | 294.070595 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LC6iYpkFpI8 |
|---|---|
| Name | 5-{[(1S,2S)-2-chlorocyclohexyl]sulfanyl}-1-phenyl-1H-tetraazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.070595373 u |
| Formula | C13H15ClN4S |
| InChI | InChI=1S/C13H15ClN4S/c14-11-8-4-5-9-12(11)19-13-15-16-17-18(13)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2 |
| InChIKey | HAQCAOOTKPRGSU-UHFFFAOYSA-N |
| Molecular Weight | 294.804 g/mol |
| SMILES | C=1(N(N=NN1)C1=CC=CC=C1)SC1C(Cl)CCCC1 |