| SpectraBase Compound ID | KOyfAhtr6WU |
|---|---|
| InChI | InChI=1S/C13H14O5/c1-16-10-4-3-8(5-11(10)17-2)13(15)9-6-12(14)18-7-9/h3-5,9H,6-7H2,1-2H3 |
| InChIKey | MKWYWISNPJGVLR-UHFFFAOYSA-N |
| Mol Weight | 250.25 g/mol |
| Molecular Formula | C13H14O5 |
| Exact Mass | 250.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DnrCpH9Mfa7 |
|---|---|
| Name | Methanone, (3,4-dimethoxyphenyl)-(5-oxotetrahydrofuran-3-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.084123546 u |
| Formula | C13H14O5 |
| InChI | InChI=1S/C13H14O5/c1-16-10-4-3-8(5-11(10)17-2)13(15)9-6-12(14)18-7-9/h3-5,9H,6-7H2,1-2H3 |
| InChIKey | MKWYWISNPJGVLR-UHFFFAOYSA-N |
| Molecular Weight | 250.250 g/mol |
| SMILES | COC1=CC=C(C(=O)C2COC(=O)C2)C=C1OC |