| SpectraBase Compound ID | 1ddQNdLcfni |
|---|---|
| InChI | InChI=1S/C12H17NO2/c1-10-4-6-11(7-5-10)12(14)15-9-8-13(2)3/h4-7H,8-9H2,1-3H3 |
| InChIKey | RVJZNPYFKRKKDL-UHFFFAOYSA-N |
| Mol Weight | 207.27 g/mol |
| Molecular Formula | C12H17NO2 |
| Exact Mass | 207.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FUnQfgCySXg |
|---|---|
| Name | 4-Methylbenzoic acid, 2-dimethylaminoethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.125928789 u |
| Formula | C12H17NO2 |
| InChI | InChI=1S/C12H17NO2/c1-10-4-6-11(7-5-10)12(14)15-9-8-13(2)3/h4-7H,8-9H2,1-3H3 |
| InChIKey | RVJZNPYFKRKKDL-UHFFFAOYSA-N |
| Molecular Weight | 207.273 g/mol |
| SMILES | C(C1=CC=C(C=C1)C)(OCCN(C)C)=O |