| SpectraBase Compound ID | ZOBPlaVxwK |
|---|---|
| InChI | InChI=1S/C13H23N3S/c1-3-4-5-6-7-8-9-10-11-12-14-13(17-2)16-15-12/h3H,1,4-11H2,2H3,(H,14,15,16) |
| InChIKey | VYALSRBSCRHEOG-UHFFFAOYSA-N |
| Mol Weight | 253.41 g/mol |
| Molecular Formula | C13H23N3S |
| Exact Mass | 253.161269 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 15cpPSw6dCG |
|---|---|
| Name | 3-(9-Decenyl)-5-(methylsulfanyl)-1H-1,2,4-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.161268927 u |
| Formula | C13H23N3S |
| InChI | InChI=1S/C13H23N3S/c1-3-4-5-6-7-8-9-10-11-12-14-13(17-2)16-15-12/h3H,1,4-11H2,2H3,(H,14,15,16) |
| InChIKey | VYALSRBSCRHEOG-UHFFFAOYSA-N |
| Molecular Weight | 253.408 g/mol |
| SMILES | N1N=C(N=C1SC)CCCCCCCCC=C |