| SpectraBase Compound ID | 39pTTMl8ER4 |
|---|---|
| InChI | InChI=1S/C13H16N2S/c1-3-9-15-12-8-6-5-7-11(12)14-13(15)16-10-4-2/h4-8H,2-3,9-10H2,1H3 |
| InChIKey | UWRDVLKIRDZKHT-UHFFFAOYSA-N |
| Mol Weight | 232.34 g/mol |
| Molecular Formula | C13H16N2S |
| Exact Mass | 232.10342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CbZgVdv5U51 |
|---|---|
| Name | 2-(Allylthio)-1-propyl-benzimidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.103419697 u |
| Formula | C13H16N2S |
| InChI | InChI=1S/C13H16N2S/c1-3-9-15-12-8-6-5-7-11(12)14-13(15)16-10-4-2/h4-8H,2-3,9-10H2,1H3 |
| InChIKey | UWRDVLKIRDZKHT-UHFFFAOYSA-N |
| Molecular Weight | 232.345 g/mol |
| SMILES | C1(=NC2=CC=CC=C2N1CCC)SCC=C |