| SpectraBase Compound ID | JVOVBRD2ifB |
|---|---|
| InChI | InChI=1S/C18H27NO2/c1-2-3-4-5-6-7-8-9-10-13-18(20)21-16-17-12-11-14-19-15-17/h7-8,11-12,14-15H,2-6,9-10,13,16H2,1H3/b8-7- |
| InChIKey | SSWZBPBSEOOPCH-FPLPWBNLSA-N |
| Mol Weight | 289.42 g/mol |
| Molecular Formula | C18H27NO2 |
| Exact Mass | 289.204179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 307w32ZXE9s |
|---|---|
| Name | cis-5-Dodecenoic acid, picolinyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.204179111 u |
| Formula | C18H27NO2 |
| InChI | InChI=1S/C18H27NO2/c1-2-3-4-5-6-7-8-9-10-13-18(20)21-16-17-12-11-14-19-15-17/h7-8,11-12,14-15H,2-6,9-10,13,16H2,1H3/b8-7- |
| InChIKey | SSWZBPBSEOOPCH-FPLPWBNLSA-N |
| SMILES | C(=O)(OCC1=CN=CC=C1)CCC\C=C/CCCCCC |