| SpectraBase Compound ID | Dir8chkiGZs |
|---|---|
| InChI | InChI=1S/C17H16N2O2/c20-17(21)10-11-19-15-9-5-4-8-14(15)18-16(19)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,21) |
| InChIKey | OHIXXNSKBKYWEO-UHFFFAOYSA-N |
| Mol Weight | 280.33 g/mol |
| Molecular Formula | C17H16N2O2 |
| Exact Mass | 280.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8bk45QXlAVv |
|---|---|
| Name | 1H-Benzimidazole-1-propanoic acid, 2-(phenylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.121177761 u |
| Formula | C17H16N2O2 |
| InChI | InChI=1S/C17H16N2O2/c20-17(21)10-11-19-15-9-5-4-8-14(15)18-16(19)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,21) |
| InChIKey | OHIXXNSKBKYWEO-UHFFFAOYSA-N |
| Molecular Weight | 280.327 g/mol |
| SMILES | OC(CCN1C(=NC2=CC=CC=C12)CC1=CC=CC=C1)=O |