![3-[2-(Methylamino)phenyl]-2-benzopyran-1-one](/api/spectrum/AOVNGULRuVi/structure.png?h=300&w=458 "3-[2-(Methylamino)phenyl]-2-benzopyran-1-one")
| SpectraBase Compound ID | 7vSHKdjoAre |
|---|---|
| InChI | InChI=1S/C16H13NO2/c1-17-14-9-5-4-8-13(14)15-10-11-6-2-3-7-12(11)16(18)19-15/h2-10,17H,1H3 |
| InChIKey | GYSRQWRTBNFRCW-UHFFFAOYSA-N |
| Mol Weight | 251.28 g/mol |
| Molecular Formula | C16H13NO2 |
| Exact Mass | 251.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AOVNGULRuVi |
|---|---|
| Name | 3-[2-(Methylamino)phenyl]-2-benzopyran-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.094628661 u |
| Formula | C16H13NO2 |
| InChI | InChI=1S/C16H13NO2/c1-17-14-9-5-4-8-13(14)15-10-11-6-2-3-7-12(11)16(18)19-15/h2-10,17H,1H3 |
| InChIKey | GYSRQWRTBNFRCW-UHFFFAOYSA-N |
| Molecular Weight | 251.285 g/mol |
| SMILES | C=1(OC(=O)C=2C(C1)=CC=CC2)C=1C(NC)=CC=CC1 |