| SpectraBase Compound ID | 2GFrkznwquT |
|---|---|
| InChI | InChI=1S/C20H37NO4/c1-4-5-6-7-8-9-10-15-24-19(22)18-11-13-21(14-12-18)20(23)25-16-17(2)3/h17-18H,4-16H2,1-3H3 |
| InChIKey | WOGFSXHUCSPDFQ-UHFFFAOYSA-N |
| Mol Weight | 355.5 g/mol |
| Molecular Formula | C20H37NO4 |
| Exact Mass | 355.272259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5g08TwqW7FA |
|---|---|
| Name | Isonipecotic acid, N-isobutoxycarbonyl-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.272258671 u |
| Formula | C20H37NO4 |
| InChI | InChI=1S/C20H37NO4/c1-4-5-6-7-8-9-10-15-24-19(22)18-11-13-21(14-12-18)20(23)25-16-17(2)3/h17-18H,4-16H2,1-3H3 |
| InChIKey | WOGFSXHUCSPDFQ-UHFFFAOYSA-N |
| Molecular Weight | 355.519 g/mol |
| SMILES | CCCCCCCCCOC(C1CCN(CC1)C(OCC(C)C)=O)=O |