| SpectraBase Compound ID | 8hRksxM4Q7D |
|---|---|
| InChI | InChI=1S/C12H14N2O2/c1-14-10-6-4-3-5-9(10)13-11(14)7-8-12(15)16-2/h3-6H,7-8H2,1-2H3 |
| InChIKey | HQMDSKPJSFGGCV-UHFFFAOYSA-N |
| Mol Weight | 218.26 g/mol |
| Molecular Formula | C12H14N2O2 |
| Exact Mass | 218.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6wYox65FTt6 |
|---|---|
| Name | Methyl 3-(1-methyl-1H-benzimidazol-2-yl)propanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.105527697 u |
| Formula | C12H14N2O2 |
| InChI | InChI=1S/C12H14N2O2/c1-14-10-6-4-3-5-9(10)13-11(14)7-8-12(15)16-2/h3-6H,7-8H2,1-2H3 |
| InChIKey | HQMDSKPJSFGGCV-UHFFFAOYSA-N |
| Molecular Weight | 218.256 g/mol |
| SMILES | C(OC)(CCC=1N(C2=CC=CC=C2N1)C)=O |