| SpectraBase Compound ID | 6ciQPNvbt9B |
|---|---|
| InChI | InChI=1S/C12H17NO2/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-6,9H,7-8,13H2,1-2H3 |
| InChIKey | DVPONJRILZFUGU-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 | IHx9p5nJTgv |
|---|---|
| Name | Benzoic acid, 4-amino-, 3-methylbutyl 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)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-6,9H,7-8,13H2,1-2H3 |
| InChIKey | DVPONJRILZFUGU-UHFFFAOYSA-N |
| Molecular Weight | 207.273 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCC(C)C)=O)N |