| SpectraBase Compound ID | 6sDB9RPgrui |
|---|---|
| InChI | InChI=1S/C19H27NO3/c1-2-3-4-8-15-23-19(22)17-11-13-20(14-12-17)18(21)16-9-6-5-7-10-16/h5-7,9-10,17H,2-4,8,11-15H2,1H3 |
| InChIKey | SSNJDHMTKQNNCM-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 | AEsmc0OyEXe |
|---|---|
| Name | Isonipecotic acid, N-benzoyl-, hexyl 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/c1-2-3-4-8-15-23-19(22)17-11-13-20(14-12-17)18(21)16-9-6-5-7-10-16/h5-7,9-10,17H,2-4,8,11-15H2,1H3 |
| InChIKey | SSNJDHMTKQNNCM-UHFFFAOYSA-N |
| Molecular Weight | 317.429 g/mol |
| SMILES | CCCCCCOC(C1CCN(C(=O)C2=CC=CC=C2)CC1)=O |