| SpectraBase Compound ID | LgZR3wdIsyh |
|---|---|
| InChI | InChI=1S/C18H34O3/c1-4-5-6-7-9-12-16(2)15-17(21-3)13-10-8-11-14-18(19)20/h8,10,16-17H,4-7,9,11-15H2,1-3H3,(H,19,20)/b10-8+ |
| InChIKey | OJUQZRAAVSGJRO-CSKARUKUSA-N |
| Mol Weight | 298.5 g/mol |
| Molecular Formula | C18H34O3 |
| Exact Mass | 298.250795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ZNUwGNfyQb |
|---|---|
| Name | Trans-7-methoxy-9-methylhexadec-4-enoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.250794952 u |
| Formula | C18H34O3 |
| InChI | InChI=1S/C18H34O3/c1-4-5-6-7-9-12-16(2)15-17(21-3)13-10-8-11-14-18(19)20/h8,10,16-17H,4-7,9,11-15H2,1-3H3,(H,19,20)/b10-8+ |
| InChIKey | OJUQZRAAVSGJRO-CSKARUKUSA-N |
| SMILES | C(=O)(O)CC\C=C\CC(CC(CCCCCCC)C)OC |