![4H-1-Benzopyran-4-one, 2-[4-(dimethylamino)phenyl]-2,3-](/api/spectrum/IWrtr0CulOQ/structure.png?h=300&w=458 "4H-1-Benzopyran-4-one, 2-[4-(dimethylamino)phenyl]-2,3-")
| SpectraBase Compound ID | 3isS09pTmcP |
|---|---|
| InChI | InChI=1S/C17H17NO2/c1-18(2)13-9-7-12(8-10-13)17-11-15(19)14-5-3-4-6-16(14)20-17/h3-10,17H,11H2,1-2H3 |
| InChIKey | MDSBXFQOYRGPIW-UHFFFAOYSA-N |
| Mol Weight | 267.33 g/mol |
| Molecular Formula | C17H17NO2 |
| Exact Mass | 267.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IWrtr0CulOQ |
|---|---|
| Name | 4H-1-Benzopyran-4-one, 2-[4-(dimethylamino)phenyl]-2,3- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.125928789 u |
| Formula | C17H17NO2 |
| InChI | InChI=1S/C17H17NO2/c1-18(2)13-9-7-12(8-10-13)17-11-15(19)14-5-3-4-6-16(14)20-17/h3-10,17H,11H2,1-2H3 |
| InChIKey | MDSBXFQOYRGPIW-UHFFFAOYSA-N |
| SMILES | C1C(OC=2C=CC=CC2C1=O)C1=CC=C(C=C1)N(C)C |