| SpectraBase Compound ID | Bx72reD6N1q |
|---|---|
| InChI | InChI=1S/C13H11NO3/c15-12-7-6-11(8-14-12)13(16)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,14,15) |
| InChIKey | HGBIRINXNOIQIR-UHFFFAOYSA-N |
| Mol Weight | 229.23 g/mol |
| Molecular Formula | C13H11NO3 |
| Exact Mass | 229.073893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | INVJQhF6c70 |
|---|---|
| Name | Benzyl 6-hydroxynicotinate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.073893215 u |
| Formula | C13H11NO3 |
| InChI | InChI=1S/C13H11NO3/c15-12-7-6-11(8-14-12)13(16)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,14,15) |
| InChIKey | HGBIRINXNOIQIR-UHFFFAOYSA-N |
| Molecular Weight | 229.235 g/mol |
| SMILES | OC=1C=CC(=CN1)C(OCC=1C=CC=CC1)=O |