| SpectraBase Compound ID | 9KLApX2Cwr5 |
|---|---|
| InChI | InChI=1S/C19H35NO4/c1-3-5-7-8-9-10-16-23-18(21)17-11-13-20(14-12-17)19(22)24-15-6-4-2/h17H,3-16H2,1-2H3 |
| InChIKey | OLGVWUQHWXCQSV-UHFFFAOYSA-N |
| Mol Weight | 341.5 g/mol |
| Molecular Formula | C19H35NO4 |
| Exact Mass | 341.256609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ECRW6tj8wv1 |
|---|---|
| Name | Isonipecotic acid, N-butoxycarbonyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.256608607 u |
| Formula | C19H35NO4 |
| InChI | InChI=1S/C19H35NO4/c1-3-5-7-8-9-10-16-23-18(21)17-11-13-20(14-12-17)19(22)24-15-6-4-2/h17H,3-16H2,1-2H3 |
| InChIKey | OLGVWUQHWXCQSV-UHFFFAOYSA-N |
| Molecular Weight | 341.492 g/mol |
| SMILES | C1N(CCC(C1)C(OCCCCCCCC)=O)C(=O)OCCCC |