| SpectraBase Compound ID | yw3pEYas5t |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-3-10(2)9-12(13(14)15)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,14,15) |
| InChIKey | XZBZRJWIGSPWSU-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CaTo7eQLlLj |
|---|---|
| Name | 4-Methyl-2-phenyl-hexanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-3-10(2)9-12(13(14)15)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,14,15) |
| InChIKey | XZBZRJWIGSPWSU-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C(C(CC(CC)C)C=1C=CC=CC1)(=O)O |