![2H-1-benzopyran-2-one, 4-[(3-pyridinylmethyl)amino]-](/api/spectrum/1yaORAMrMuM/structure.png?h=300&w=458 "2H-1-benzopyran-2-one, 4-[(3-pyridinylmethyl)amino]-")
| SpectraBase Compound ID | DC1bARZSm0j |
|---|---|
| InChI | InChI=1S/C15H12N2O2/c18-15-8-13(12-5-1-2-6-14(12)19-15)17-10-11-4-3-7-16-9-11/h1-9,17H,10H2 |
| InChIKey | XSAOKNLAPWLZNP-UHFFFAOYSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C15H12N2O2 |
| Exact Mass | 252.089878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1yaORAMrMuM |
|---|---|
| Name | 2H-1-Benzopyran-2-one, 4-[(3-pyridinylmethyl)amino]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.089877632 u |
| Formula | C15H12N2O2 |
| InChI | InChI=1S/C15H12N2O2/c18-15-8-13(12-5-1-2-6-14(12)19-15)17-10-11-4-3-7-16-9-11/h1-9,17H,10H2 |
| InChIKey | XSAOKNLAPWLZNP-UHFFFAOYSA-N |
| Molecular Weight | 252.273 g/mol |
| SMILES | N(C1=CC(=O)OC=2C1=CC=CC2)CC1=CN=CC=C1 |