| SpectraBase Compound ID | 6hhqAmlzkS7 |
|---|---|
| InChI | InChI=1S/C19H27NO3/c1-4-15-5-7-16(8-6-15)18(21)20-11-9-17(10-12-20)19(22)23-13-14(2)3/h5-8,14,17H,4,9-13H2,1-3H3 |
| InChIKey | AMPSRHITULVXNY-UHFFFAOYSA-N |
| Mol Weight | 317.43 g/mol |
| Molecular Formula | C19H27NO3 |
| Exact Mass | 317.199094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lc9AbDjXmNr |
|---|---|
| Name | Isonipecotic acid, N-(4-ethylbenzoyl)-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.199093730 u |
| Formula | C19H27NO3 |
| InChI | InChI=1S/C19H27NO3/c1-4-15-5-7-16(8-6-15)18(21)20-11-9-17(10-12-20)19(22)23-13-14(2)3/h5-8,14,17H,4,9-13H2,1-3H3 |
| InChIKey | AMPSRHITULVXNY-UHFFFAOYSA-N |
| Molecular Weight | 317.429 g/mol |
| SMILES | CC(C)COC(C1CCN(C(=O)C2=CC=C(C=C2)CC)CC1)=O |