| SpectraBase Compound ID | H82tT2bEfwq |
|---|---|
| InChI | InChI=1S/C12H12O4/c1-3-10(13)11(14)8-4-6-9(7-5-8)12(15)16-2/h4-7H,3H2,1-2H3 |
| InChIKey | GIGJHMZMJPJVOR-UHFFFAOYSA-N |
| Mol Weight | 220.22 g/mol |
| Molecular Formula | C12H12O4 |
| Exact Mass | 220.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LYRXSK8VfKX |
|---|---|
| Name | 1-(4-Carbomethoxyphenyl)-1,2-butanedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.073558862 u |
| Formula | C12H12O4 |
| InChI | InChI=1S/C12H12O4/c1-3-10(13)11(14)8-4-6-9(7-5-8)12(15)16-2/h4-7H,3H2,1-2H3 |
| InChIKey | GIGJHMZMJPJVOR-UHFFFAOYSA-N |
| Molecular Weight | 220.224 g/mol |
| SMILES | C1(=CC=C(C=C1)C(C(CC)=O)=O)C(OC)=O |