![Acetaldehyde, 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-](/api/spectrum/3NhrkzQMyBH/structure.png?h=300&w=458 "Acetaldehyde, 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-")
| SpectraBase Compound ID | 44FJwomtGkO |
|---|---|
| InChI | InChI=1S/C11H8O4/c12-5-6-14-9-3-1-8-2-4-11(13)15-10(8)7-9/h1-5,7H,6H2 |
| InChIKey | DBZJBJFCDKHGBJ-UHFFFAOYSA-N |
| Mol Weight | 204.18 g/mol |
| Molecular Formula | C11H8O4 |
| Exact Mass | 204.042259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3NhrkzQMyBH |
|---|---|
| Name | Acetaldehyde, 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.042258734 u |
| Formula | C11H8O4 |
| InChI | InChI=1S/C11H8O4/c12-5-6-14-9-3-1-8-2-4-11(13)15-10(8)7-9/h1-5,7H,6H2 |
| InChIKey | DBZJBJFCDKHGBJ-UHFFFAOYSA-N |
| Molecular Weight | 204.181 g/mol |
| SMILES | C(C=O)OC1=CC=2OC(C=CC2C=C1)=O |