| SpectraBase Compound ID | 4PqW8CNQPdX |
|---|---|
| InChI | InChI=1S/C12H12O5/c1-17-10-4-2-8(3-5-10)11(14)6-9(13)7-12(15)16/h2-5H,6-7H2,1H3,(H,15,16) |
| InChIKey | FMBVOMQOZSWXLP-UHFFFAOYSA-N |
| Mol Weight | 236.22 g/mol |
| Molecular Formula | C12H12O5 |
| Exact Mass | 236.068473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BgmQDsz3YJA |
|---|---|
| Name | Benzenepentanoic acid, 4-methoxy-.beta.,.delta.-dioxo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.068473481 u |
| Formula | C12H12O5 |
| InChI | InChI=1S/C12H12O5/c1-17-10-4-2-8(3-5-10)11(14)6-9(13)7-12(15)16/h2-5H,6-7H2,1H3,(H,15,16) |
| InChIKey | FMBVOMQOZSWXLP-UHFFFAOYSA-N |
| Molecular Weight | 236.223 g/mol |
| SMILES | C1=C(C=CC(=C1)OC)C(=O)CC(=O)CC(O)=O |