| SpectraBase Compound ID | 3CYu6iUs7G9 |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-4-6-11(3)13(14)15-12-8-5-7-10(2)9-12/h5,7-9,11H,4,6H2,1-3H3 |
| InChIKey | ZPFHFVWGRICJNI-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 | EQCzRuwxwd8 |
|---|---|
| Name | 2-Methylvaleric acid, 3-methylphenyl ester |
| 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/c1-4-6-11(3)13(14)15-12-8-5-7-10(2)9-12/h5,7-9,11H,4,6H2,1-3H3 |
| InChIKey | ZPFHFVWGRICJNI-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C(C(C(=O)OC1=CC(C)=CC=C1)C)CC |