![1-Undecen-4-yn-3-ol, 11-[(tetrahydro-2H-pyran-2-yl)oxy]-, acetate](/api/spectrum/FL4ZMFrQqje/structure.png?h=300&w=458 "1-Undecen-4-yn-3-ol, 11-[(tetrahydro-2H-pyran-2-yl)oxy]-, acetate")
| SpectraBase Compound ID | KxbFlyJRzPD |
|---|---|
| InChI | InChI=1S/C18H28O4/c1-3-17(22-16(2)19)12-8-6-4-5-7-10-14-20-18-13-9-11-15-21-18/h3,17-18H,1,4-7,9-11,13-15H2,2H3 |
| InChIKey | LLJWPRPFQNXGCT-UHFFFAOYSA-N |
| Mol Weight | 308.42 g/mol |
| Molecular Formula | C18H28O4 |
| Exact Mass | 308.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FL4ZMFrQqje |
|---|---|
| Name | 1-Undecen-4-yn-3-ol, 11-[(tetrahydro-2H-pyran-2-yl)oxy]-, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.198759378 u |
| Formula | C18H28O4 |
| InChI | InChI=1S/C18H28O4/c1-3-17(22-16(2)19)12-8-6-4-5-7-10-14-20-18-13-9-11-15-21-18/h3,17-18H,1,4-7,9-11,13-15H2,2H3 |
| InChIKey | LLJWPRPFQNXGCT-UHFFFAOYSA-N |
| Molecular Weight | 308.418 g/mol |
| SMILES | C(C(OC(C)=O)C#CCCCCCCOC1OCCCC1)=C |