| SpectraBase Compound ID | AjbFgdcrOny |
|---|---|
| InChI | InChI=1S/C17H23NO2/c1-2-3-4-5-6-7-8-9-12-17(19)20-15-16-11-10-13-18-14-16/h1,10-11,13-14H,3-9,12,15H2 |
| InChIKey | LLCCNDJNRFGKPE-UHFFFAOYSA-N |
| Mol Weight | 273.38 g/mol |
| Molecular Formula | C17H23NO2 |
| Exact Mass | 273.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DQrKuY97jnu |
|---|---|
| Name | 10-Undecynoic acid, picolinyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.172878983 u |
| Formula | C17H23NO2 |
| InChI | InChI=1S/C17H23NO2/c1-2-3-4-5-6-7-8-9-12-17(19)20-15-16-11-10-13-18-14-16/h1,10-11,13-14H,3-9,12,15H2 |
| InChIKey | LLCCNDJNRFGKPE-UHFFFAOYSA-N |
| SMILES | C(=O)(OCC1=CN=CC=C1)CCCCCCCCC#C |