| SpectraBase Compound ID | E1O6ZBm1IGN |
|---|---|
| InChI | InChI=1S/C19H27NO3/c1-15(2)7-6-14-23-19(22)17-10-12-20(13-11-17)18(21)16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3 |
| InChIKey | YFGSSKRDTZTILS-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 | 9QdLyeXDP43 |
|---|---|
| Name | Isonipecotic acid, N-benzoyl-, isohexyl 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/c1-15(2)7-6-14-23-19(22)17-10-12-20(13-11-17)18(21)16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3 |
| InChIKey | YFGSSKRDTZTILS-UHFFFAOYSA-N |
| Molecular Weight | 317.429 g/mol |
| SMILES | CC(C)CCCOC(C1CCN(C(=O)C2=CC=CC=C2)CC1)=O |