| SpectraBase Compound ID | 891tKZI9R2e |
|---|---|
| InChI | InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10H,2,5,8,11-15H2,1H3,(H,17,18)/b4-3-,7-6-,10-9- |
| InChIKey | KBGYPXOSNDMZRV-PDBXOOCHSA-N |
| Mol Weight | 250.38 g/mol |
| Molecular Formula | C16H26O2 |
| Exact Mass | 250.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FCzBO1Qd9m |
|---|---|
| Name | 7,10,13-Hexadecatrienoic acid, (Z,Z,Z)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.193280075 u |
| Formula | C16H26O2 |
| InChI | InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10H,2,5,8,11-15H2,1H3,(H,17,18)/b4-3-,7-6-,10-9- |
| InChIKey | KBGYPXOSNDMZRV-PDBXOOCHSA-N |
| Molecular Weight | 250.382 g/mol |
| SMILES | C(CCCCC(O)=O)\C=C/C\C=C/C\C=C/CC |