| SpectraBase Compound ID | Ivkrk5hU3Qd |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-4-13-11(12)10-7-5-6-8(2)9(10)3/h5-7H,4H2,1-3H3 |
| InChIKey | YPZCBIBAAUBMLB-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 | DNDXoEZgKE3 |
|---|---|
| Name | Ethyl 2,3-dimethylbenzoate |
| 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/c1-4-13-11(12)10-7-5-6-8(2)9(10)3/h5-7H,4H2,1-3H3 |
| InChIKey | YPZCBIBAAUBMLB-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C(OCC)(=O)C1=C(C)C(C)=CC=C1 |