| SpectraBase Compound ID | 7TbngTSkz7k |
|---|---|
| InChI | InChI=1S/C18H34O2.CH4N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1(3)4/h9-10H,2-8,11-17H2,1H3,(H,19,20);(H4,2,3,4)/b10-9+; |
| InChIKey | JLMOROHJHLOTMH-RRABGKBLSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C19H38N2O3 |
| Exact Mass | 342.288243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7m7vdI0dFXc |
|---|---|
| Name | Elaidic acid, 1:1 adduct with urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.288243089 u |
| Formula | C19H38N2O3 |
| InChI | InChI=1S/C18H34O2.CH4N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1(3)4/h9-10H,2-8,11-17H2,1H3,(H,19,20);(H4,2,3,4)/b10-9+; |
| InChIKey | JLMOROHJHLOTMH-RRABGKBLSA-N |
| Molecular Weight | 342.524 g/mol |
| SMILES | OC(=O)CCCCCCC\C=C\CCCCCCCC.NC(=O)N |