| SpectraBase Compound ID | LtcU9qnhDeZ |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-8(13)6-11(14)10-5-4-9(15-2)7-12(10)16-3/h4-5,7H,6H2,1-3H3 |
| InChIKey | AGKXFNIJKRGQMC-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 38hOuqOJ72Z |
|---|---|
| Name | 1-(2,4-Dimethoxyphenyl)butane-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.089208927 u |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-8(13)6-11(14)10-5-4-9(15-2)7-12(10)16-3/h4-5,7H,6H2,1-3H3 |
| InChIKey | AGKXFNIJKRGQMC-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C1=C(C(C(CC(C)=O)=O)=CC=C1OC)OC |