| SpectraBase Compound ID | AnuPbw887VM |
|---|---|
| InChI | InChI=1S/C12H14N2OS/c1-7-4-10-11(5-8(7)2)14-12(13-10)16-6-9(3)15/h4-5H,6H2,1-3H3,(H,13,14) |
| InChIKey | FJYBPUMECHLPAA-UHFFFAOYSA-N |
| Mol Weight | 234.32 g/mol |
| Molecular Formula | C12H14N2OS |
| Exact Mass | 234.082684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IGakbg7OyAV |
|---|---|
| Name | 2-(Acetylmethylthio)-5,6-dimethyl-benzimidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.082684252 u |
| Formula | C12H14N2OS |
| InChI | InChI=1S/C12H14N2OS/c1-7-4-10-11(5-8(7)2)14-12(13-10)16-6-9(3)15/h4-5H,6H2,1-3H3,(H,13,14) |
| InChIKey | FJYBPUMECHLPAA-UHFFFAOYSA-N |
| Molecular Weight | 234.317 g/mol |
| SMILES | C1(=NC2=CC(C)=C(C=C2N1)C)SCC(=O)C |