![2H-1-Benzopyran-2-one, 7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,4-dimethyl-](/api/spectrum/82eosFXidEC/structure.png?h=300&w=458 "2H-1-Benzopyran-2-one, 7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,4-dimethyl-")
| SpectraBase Compound ID | LStMmrHyYyn |
|---|---|
| InChI | InChI=1S/C16H16N2O4/c1-4-14-17-18-15(22-14)8-20-11-5-6-12-9(2)10(3)16(19)21-13(12)7-11/h5-7H,4,8H2,1-3H3 |
| InChIKey | PGAVTNZEUUPMET-UHFFFAOYSA-N |
| Mol Weight | 300.31 g/mol |
| Molecular Formula | C16H16N2O4 |
| Exact Mass | 300.111007 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 82eosFXidEC |
|---|---|
| Name | 2H-1-Benzopyran-2-one, 7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,4-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.111006999 u |
| Formula | C16H16N2O4 |
| InChI | InChI=1S/C16H16N2O4/c1-4-14-17-18-15(22-14)8-20-11-5-6-12-9(2)10(3)16(19)21-13(12)7-11/h5-7H,4,8H2,1-3H3 |
| InChIKey | PGAVTNZEUUPMET-UHFFFAOYSA-N |
| SMILES | CCC=1OC(COC2=CC=C3C(=C2)OC(C(=C3C)C)=O)=NN1 |