| SpectraBase Compound ID | GAFT89gHtKa |
|---|---|
| InChI | InChI=1S/C20H37NO3/c1-4-5-6-7-8-11-19(22)21-14-12-18(13-15-21)20(23)24-16-9-10-17(2)3/h17-18H,4-16H2,1-3H3 |
| InChIKey | YXTNHCYADQRFNN-UHFFFAOYSA-N |
| Mol Weight | 339.5 g/mol |
| Molecular Formula | C20H37NO3 |
| Exact Mass | 339.277344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J1ZOqOkp2N3 |
|---|---|
| Name | Isonipecotic acid, N-(octanoyl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.277344052 u |
| Formula | C20H37NO3 |
| InChI | InChI=1S/C20H37NO3/c1-4-5-6-7-8-11-19(22)21-14-12-18(13-15-21)20(23)24-16-9-10-17(2)3/h17-18H,4-16H2,1-3H3 |
| InChIKey | YXTNHCYADQRFNN-UHFFFAOYSA-N |
| Molecular Weight | 339.520 g/mol |
| SMILES | CC(C)CCCOC(C1CCN(C(=O)CCCCCCC)CC1)=O |