| SpectraBase Compound ID | 28zTzojA6Xf |
|---|---|
| InChI | InChI=1S/C13H11NO2/c1-10-5-4-6-11(9-10)16-13(15)12-7-2-3-8-14-12/h2-9H,1H3 |
| InChIKey | UPJFYDAVICVTBN-UHFFFAOYSA-N |
| Mol Weight | 213.24 g/mol |
| Molecular Formula | C13H11NO2 |
| Exact Mass | 213.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 80ZUJAA1rb6 |
|---|---|
| Name | 3-Methylphenyl picolinate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.078978596 u |
| Formula | C13H11NO2 |
| InChI | InChI=1S/C13H11NO2/c1-10-5-4-6-11(9-10)16-13(15)12-7-2-3-8-14-12/h2-9H,1H3 |
| InChIKey | UPJFYDAVICVTBN-UHFFFAOYSA-N |
| Molecular Weight | 213.236 g/mol |
| SMILES | C=1C=CC(OC(C2=NC=CC=C2)=O)=CC1C |