| SpectraBase Compound ID | Lia49lV8gBr |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-8-4-6-9(7-5-8)11(2,3)10(12)13/h4-7H,1-3H3,(H,12,13) |
| InChIKey | SHDBWXXRCCHGQD-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3B8i09WHWxs |
|---|---|
| Name | 2-Methyl-2-(p-tolyl)propanoic acid; benzeneacetic acid, alpha,alpha,4-trimethyl-; hydratropic acid, p,alpha-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.099379689 u |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-8-4-6-9(7-5-8)11(2,3)10(12)13/h4-7H,1-3H3,(H,12,13) |
| InChIKey | SHDBWXXRCCHGQD-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | OC(C(C1=CC=C(C=C1)C)(C)C)=O |