| SpectraBase Compound ID | D6hsZ5kCCMx |
|---|---|
| InChI | InChI=1S/C21H39NO3/c1-4-5-6-7-8-9-10-11-16-25-21(24)19-12-14-22(15-13-19)20(23)17-18(2)3/h18-19H,4-17H2,1-3H3 |
| InChIKey | CMVACSQQPKHJQC-UHFFFAOYSA-N |
| Mol Weight | 353.5 g/mol |
| Molecular Formula | C21H39NO3 |
| Exact Mass | 353.292994 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2dA1aQMqgNZ |
|---|---|
| Name | Isonipecotic acid, N-(3-methylbutyryl)-, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.292994117 u |
| Formula | C21H39NO3 |
| InChI | InChI=1S/C21H39NO3/c1-4-5-6-7-8-9-10-11-16-25-21(24)19-12-14-22(15-13-19)20(23)17-18(2)3/h18-19H,4-17H2,1-3H3 |
| InChIKey | CMVACSQQPKHJQC-UHFFFAOYSA-N |
| Molecular Weight | 353.547 g/mol |
| SMILES | CC(CC(N1CCC(C(OCCCCCCCCCC)=O)CC1)=O)C |