| SpectraBase Compound ID | 5TzQBY8IqXX |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-3-6-9(2)17-13(16)11-8-5-4-7-10(11)12(14)15/h4-5,7-9H,3,6H2,1-2H3,(H,14,15) |
| InChIKey | MDKPYAGDECEICL-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 | 9dM90RjPEAH |
|---|---|
| Name | 2-((Pentan-2-yloxy)carbonyl)benzoic acid |
| 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/c1-3-6-9(2)17-13(16)11-8-5-4-7-10(11)12(14)15/h4-5,7-9H,3,6H2,1-2H3,(H,14,15) |
| InChIKey | MDKPYAGDECEICL-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C1=CC=C(C(=C1)C(=O)OC(CCC)C)C(=O)O |