| SpectraBase Compound ID | GBVQxvAJCtu |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-15-11-7-6-9(8-12(11)16-2)10-4-3-5-13(14)17-10/h6-8,10H,3-5H2,1-2H3 |
| InChIKey | HOLBAGBXQABLPP-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ITJkcLvirQM |
|---|---|
| Name | 6-(3,4-Dimethoxyphenyl)-2-oxanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.104858991 u |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-15-11-7-6-9(8-12(11)16-2)10-4-3-5-13(14)17-10/h6-8,10H,3-5H2,1-2H3 |
| InChIKey | HOLBAGBXQABLPP-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C1(OC(CCC1)C=1C=C(OC)C(=CC1)OC)=O |