| SpectraBase Compound ID | 1DNCbaPRuOS |
|---|---|
| InChI | InChI=1S/C24H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)27-22-23-18-17-20-25-21-23/h7-8,17-18,20-21H,2-6,9-16,19,22H2,1H3/b8-7- |
| InChIKey | UFDIVQGSXPHGEJ-FPLPWBNLSA-N |
| Mol Weight | 373.6 g/mol |
| Molecular Formula | C24H39NO2 |
| Exact Mass | 373.298079 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hk2WvSNuAJM |
|---|---|
| Name | cis-Vaccenic acid, picolinyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 373.298079498 u |
| Formula | C24H39NO2 |
| InChI | InChI=1S/C24H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)27-22-23-18-17-20-25-21-23/h7-8,17-18,20-21H,2-6,9-16,19,22H2,1H3/b8-7- |
| InChIKey | UFDIVQGSXPHGEJ-FPLPWBNLSA-N |
| Molecular Weight | 373.581 g/mol |
| SMILES | C(\C=C/CCCCCCCCCC(=O)OCC1=CC=CN=C1)CCCCC |