![2H-1-Benzopyran-2-one, 3,4-dimethyl-7-[(1-methyl-1H-pyrazol-3-yl)methoxy]-](/api/spectrum/90ZzvB9fgPp/structure.png?h=300&w=458 "2H-1-Benzopyran-2-one, 3,4-dimethyl-7-[(1-methyl-1H-pyrazol-3-yl)methoxy]-")
| SpectraBase Compound ID | EKrT5BEXypU |
|---|---|
| InChI | InChI=1S/C16H16N2O3/c1-10-11(2)16(19)21-15-8-13(4-5-14(10)15)20-9-12-6-7-18(3)17-12/h4-8H,9H2,1-3H3 |
| InChIKey | ZXVCYOCOKAHNLH-UHFFFAOYSA-N |
| Mol Weight | 284.31 g/mol |
| Molecular Formula | C16H16N2O3 |
| Exact Mass | 284.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90ZzvB9fgPp |
|---|---|
| Name | 2H-1-Benzopyran-2-one, 3,4-dimethyl-7-[(1-methyl-1H-pyrazol-3-yl)methoxy]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.116092380 u |
| Formula | C16H16N2O3 |
| InChI | InChI=1S/C16H16N2O3/c1-10-11(2)16(19)21-15-8-13(4-5-14(10)15)20-9-12-6-7-18(3)17-12/h4-8H,9H2,1-3H3 |
| InChIKey | ZXVCYOCOKAHNLH-UHFFFAOYSA-N |
| SMILES | C1(=NN(C=C1)C)COC=1C=CC=2C(=C(C(OC2C1)=O)C)C |