| SpectraBase Compound ID | 3OKbL3ih36N |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-2-8-13(12(16)17,9-11(14)15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,15)(H,16,17) |
| InChIKey | AOLREBWZLIOCII-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 | 4XmBp771wqF |
|---|---|
| Name | 2-Phenyl-2-propylsuccinic 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/c1-2-8-13(12(16)17,9-11(14)15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,15)(H,16,17) |
| InChIKey | AOLREBWZLIOCII-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | OC(C(CC(O)=O)(C1=CC=CC=C1)CCC)=O |