| SpectraBase Compound ID | IARDAqgRlWM |
|---|---|
| InChI | InChI=1S/C12H17NO2/c1-9(2)8-13-11-6-4-10(5-7-11)12(14)15-3/h4-7,9,13H,8H2,1-3H3 |
| InChIKey | RTGONJRQTJJOBR-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 | FjZfo9SokUi |
|---|---|
| Name | Benzoic acid, 4-(2-methylpropyl)amino-, methyl 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/c1-9(2)8-13-11-6-4-10(5-7-11)12(14)15-3/h4-7,9,13H,8H2,1-3H3 |
| InChIKey | RTGONJRQTJJOBR-UHFFFAOYSA-N |
| Molecular Weight | 207.273 g/mol |
| SMILES | C1=CC(=CC=C1C(OC)=O)NCC(C)C |