| SpectraBase Compound ID | 4LBybNukzmn |
|---|---|
| InChI | InChI=1S/C11H12O3/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14) |
| InChIKey | MJXXAPORLGKVLB-UHFFFAOYSA-N |
| Mol Weight | 192.21 g/mol |
| Molecular Formula | C11H12O3 |
| Exact Mass | 192.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KEO5YjfWbL6 |
|---|---|
| Name | 2-oxo-5-Phenylpentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.078644243 u |
| Formula | C11H12O3 |
| InChI | InChI=1S/C11H12O3/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14) |
| InChIKey | MJXXAPORLGKVLB-UHFFFAOYSA-N |
| Molecular Weight | 192.214 g/mol |
| SMILES | C(C(CCCC=1C=CC=CC1)=O)(=O)O |