| SpectraBase Compound ID | 996zFWQFeXa |
|---|---|
| InChI | InChI=1S/C18H33NO4/c1-4-5-6-7-8-13-22-17(20)16-9-11-19(12-10-16)18(21)23-14-15(2)3/h15-16H,4-14H2,1-3H3 |
| InChIKey | CXRKEECLZHHRTD-UHFFFAOYSA-N |
| Mol Weight | 327.5 g/mol |
| Molecular Formula | C18H33NO4 |
| Exact Mass | 327.240959 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Pnsi6xYMzP |
|---|---|
| Name | Isonipecotic acid, N-isobutoxycarbonyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.240958543 u |
| Formula | C18H33NO4 |
| InChI | InChI=1S/C18H33NO4/c1-4-5-6-7-8-13-22-17(20)16-9-11-19(12-10-16)18(21)23-14-15(2)3/h15-16H,4-14H2,1-3H3 |
| InChIKey | CXRKEECLZHHRTD-UHFFFAOYSA-N |
| Molecular Weight | 327.465 g/mol |
| SMILES | C1N(CCC(C1)C(OCCCCCCC)=O)C(OCC(C)C)=O |