| SpectraBase Compound ID | 3D7jjkeRfqg |
|---|---|
| InChI | InChI=1S/C11H12N2O2/c1-15-11(14)7-6-10-12-8-4-2-3-5-9(8)13-10/h2-5H,6-7H2,1H3,(H,12,13) |
| InChIKey | KNWWNAWZKMKIPF-UHFFFAOYSA-N |
| Mol Weight | 204.23 g/mol |
| Molecular Formula | C11H12N2O2 |
| Exact Mass | 204.089878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4y4f1l5Blns |
|---|---|
| Name | Propionic acid, 3-(1H-benzoimidazol-2-yl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.089877632 u |
| Formula | C11H12N2O2 |
| InChI | InChI=1S/C11H12N2O2/c1-15-11(14)7-6-10-12-8-4-2-3-5-9(8)13-10/h2-5H,6-7H2,1H3,(H,12,13) |
| InChIKey | KNWWNAWZKMKIPF-UHFFFAOYSA-N |
| Molecular Weight | 204.229 g/mol |
| SMILES | C1=CC=C2N=C(NC2=C1)CCC(=O)OC |