| SpectraBase Compound ID | Cu0PXcECHhz |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-8(2)13-11(12)10-6-4-9(3)5-7-10/h4-8H,1-3H3 |
| InChIKey | ONWRVKPIVJMSHO-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 | 3rUq9OGPqTa |
|---|---|
| Name | Benzoic acid, 4-methyl-, 1-methylethyl ester |
| 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(2)13-11(12)10-6-4-9(3)5-7-10/h4-8H,1-3H3 |
| InChIKey | ONWRVKPIVJMSHO-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | CC1=CC=C(C(OC(C)C)=O)C=C1 |