![Benzoic acid, 4-[(4-pyridinylmethyl)amino]-](/api/spectrum/LEitr4HNzYy/structure.png?h=300&w=458 "Benzoic acid, 4-[(4-pyridinylmethyl)amino]-")
| SpectraBase Compound ID | BxYmVnlVELq |
|---|---|
| InChI | InChI=1S/C13H12N2O2/c16-13(17)11-1-3-12(4-2-11)15-9-10-5-7-14-8-6-10/h1-8,15H,9H2,(H,16,17) |
| InChIKey | VHINPRZMCMMAMA-UHFFFAOYSA-N |
| Mol Weight | 228.25 g/mol |
| Molecular Formula | C13H12N2O2 |
| Exact Mass | 228.089878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LEitr4HNzYy |
|---|---|
| Name | Benzoic acid, 4-[(4-pyridinylmethyl)amino]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.089877632 u |
| Formula | C13H12N2O2 |
| InChI | InChI=1S/C13H12N2O2/c16-13(17)11-1-3-12(4-2-11)15-9-10-5-7-14-8-6-10/h1-8,15H,9H2,(H,16,17) |
| InChIKey | VHINPRZMCMMAMA-UHFFFAOYSA-N |
| Molecular Weight | 228.251 g/mol |
| SMILES | C(C1=CC=C(C=C1)NCC=1C=CN=CC1)(=O)O |