| SpectraBase Compound ID | AiRiYGVS8J5 |
|---|---|
| InChI | InChI=1S/C12H10N2O/c1-3-8-14-11-7-5-4-6-10(11)13-12(14)9(2)15/h1,4-7H,8H2,2H3 |
| InChIKey | AOXZLAWWQRIHRS-UHFFFAOYSA-N |
| Mol Weight | 198.22 g/mol |
| Molecular Formula | C12H10N2O |
| Exact Mass | 198.079313 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | hDH9epvNrI |
|---|---|
| Name | 1-(1-Prop-2-ynyl-1H-benzoimidazol-2-yl)ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.079312949 u |
| Formula | C12H10N2O |
| InChI | InChI=1S/C12H10N2O/c1-3-8-14-11-7-5-4-6-10(11)13-12(14)9(2)15/h1,4-7H,8H2,2H3 |
| InChIKey | AOXZLAWWQRIHRS-UHFFFAOYSA-N |
| Molecular Weight | 198.225 g/mol |
| SMILES | C1(=NC2=CC=CC=C2N1CC#C)C(=O)C |