| SpectraBase Compound ID | EGXV0bw9OuN |
|---|---|
| InChI | InChI=1S/C20H29NO3/c1-3-5-6-15-24-20(23)18-11-13-21(14-12-18)19(22)17-9-7-16(4-2)8-10-17/h7-10,18H,3-6,11-15H2,1-2H3 |
| InChIKey | KDWXKLBHXLLKDL-UHFFFAOYSA-N |
| Mol Weight | 331.46 g/mol |
| Molecular Formula | C20H29NO3 |
| Exact Mass | 331.214744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I0lW0bDuWr |
|---|---|
| Name | Isonipecotic acid, N-(4-ethylbenzoyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.214743795 u |
| Formula | C20H29NO3 |
| InChI | InChI=1S/C20H29NO3/c1-3-5-6-15-24-20(23)18-11-13-21(14-12-18)19(22)17-9-7-16(4-2)8-10-17/h7-10,18H,3-6,11-15H2,1-2H3 |
| InChIKey | KDWXKLBHXLLKDL-UHFFFAOYSA-N |
| Molecular Weight | 331.456 g/mol |
| SMILES | CCCCCOC(C1CCN(C(=O)C2=CC=C(C=C2)CC)CC1)=O |