| SpectraBase Compound ID | 72yBKLX28LR |
|---|---|
| InChI | InChI=1S/C22H41NO4/c1-4-5-6-7-8-9-10-11-12-17-26-21(24)20-13-15-23(16-14-20)22(25)27-18-19(2)3/h19-20H,4-18H2,1-3H3 |
| InChIKey | WLNFADBQLVOIMI-UHFFFAOYSA-N |
| Mol Weight | 383.6 g/mol |
| Molecular Formula | C22H41NO4 |
| Exact Mass | 383.303559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8QEErlyxoWu |
|---|---|
| Name | Isonipecotic acid, N-isobutoxycarbonyl-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 383.303558800 u |
| Formula | C22H41NO4 |
| InChI | InChI=1S/C22H41NO4/c1-4-5-6-7-8-9-10-11-12-17-26-21(24)20-13-15-23(16-14-20)22(25)27-18-19(2)3/h19-20H,4-18H2,1-3H3 |
| InChIKey | WLNFADBQLVOIMI-UHFFFAOYSA-N |
| Molecular Weight | 383.573 g/mol |
| SMILES | C1N(CCC(C1)C(OCCCCCCCCCCC)=O)C(OCC(C)C)=O |