![Methyl 4-[(2-ethylhexanoyl)amino]benzoate](/api/spectrum/ExqLJBIbLqE/structure.png?h=300&w=458 "Methyl 4-[(2-ethylhexanoyl)amino]benzoate")
| SpectraBase Compound ID | DkNZOBkWOd5 |
|---|---|
| InChI | InChI=1S/C16H23NO3/c1-4-6-7-12(5-2)15(18)17-14-10-8-13(9-11-14)16(19)20-3/h8-12H,4-7H2,1-3H3,(H,17,18) |
| InChIKey | POTRTBFIWGRGNI-UHFFFAOYSA-N |
| Mol Weight | 277.36 g/mol |
| Molecular Formula | C16H23NO3 |
| Exact Mass | 277.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ExqLJBIbLqE |
|---|---|
| Name | Methyl 4-[(2-ethylhexanoyl)amino]benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.167793602 u |
| Formula | C16H23NO3 |
| InChI | InChI=1S/C16H23NO3/c1-4-6-7-12(5-2)15(18)17-14-10-8-13(9-11-14)16(19)20-3/h8-12H,4-7H2,1-3H3,(H,17,18) |
| InChIKey | POTRTBFIWGRGNI-UHFFFAOYSA-N |
| Molecular Weight | 277.364 g/mol |
| SMILES | N(C(=O)C(CC)CCCC)C1=CC=C(C(=O)OC)C=C1 |