| SpectraBase Compound ID | GWQMTNBAcZB |
|---|---|
| InChI | InChI=1S/C16H20N2O2/c19-15(20)10-11-18-14-9-5-4-8-13(14)17-16(18)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,19,20) |
| InChIKey | RLVPNSMMTGHJBC-UHFFFAOYSA-N |
| Mol Weight | 272.35 g/mol |
| Molecular Formula | C16H20N2O2 |
| Exact Mass | 272.152478 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LWhXd1Pi5yY |
|---|---|
| Name | 3-(2-Cyclohexyl-benzoimidazol-1-yl)-propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.152477890 u |
| Formula | C16H20N2O2 |
| InChI | InChI=1S/C16H20N2O2/c19-15(20)10-11-18-14-9-5-4-8-13(14)17-16(18)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,19,20) |
| InChIKey | RLVPNSMMTGHJBC-UHFFFAOYSA-N |
| Molecular Weight | 272.348 g/mol |
| SMILES | C=1(N(C2=CC=CC=C2N1)CCC(=O)O)C1CCCCC1 |