| SpectraBase Compound ID | 1eW81IKTtH1 |
|---|---|
| InChI | InChI=1S/C22H41NO3/c1-4-5-6-7-8-9-10-11-12-17-26-22(25)20-13-15-23(16-14-20)21(24)18-19(2)3/h19-20H,4-18H2,1-3H3 |
| InChIKey | SWRUXPGKRZYFEA-UHFFFAOYSA-N |
| Mol Weight | 367.6 g/mol |
| Molecular Formula | C22H41NO3 |
| Exact Mass | 367.308644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 14b0UP5JcNR |
|---|---|
| Name | Isonipecotic acid, N-(3-methylbutyryl)-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 367.308644181 u |
| Formula | C22H41NO3 |
| InChI | InChI=1S/C22H41NO3/c1-4-5-6-7-8-9-10-11-12-17-26-22(25)20-13-15-23(16-14-20)21(24)18-19(2)3/h19-20H,4-18H2,1-3H3 |
| InChIKey | SWRUXPGKRZYFEA-UHFFFAOYSA-N |
| Molecular Weight | 367.574 g/mol |
| SMILES | CC(CC(N1CCC(C(OCCCCCCCCCCC)=O)CC1)=O)C |