| SpectraBase Compound ID | DbeM1HJgSZI |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-13(16,10-6-4-3-5-7-10)9-11(14)8-12(15)17-2/h3-7,16H,8-9H2,1-2H3 |
| InChIKey | RMGNKGRBYXGQQA-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 | HWVRasH5LoU |
|---|---|
| Name | Benzenepentanoic acid, .delta.-hydroxy-.delta.-methyl-.beta.-oxo-, methyl ester |
| 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/c1-13(16,10-6-4-3-5-7-10)9-11(14)8-12(15)17-2/h3-7,16H,8-9H2,1-2H3 |
| InChIKey | RMGNKGRBYXGQQA-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C(CC(CC(=O)OC)=O)(C=1C=CC=CC1)(O)C |