| SpectraBase Compound ID | 54Av1xVmrmN |
|---|---|
| InChI | InChI=1S/C18H28O4/c1-3-5-7-8-10-12-15(19)17-16(20)13-14(22-18(17)21)11-9-6-4-2/h13,20H,3-12H2,1-2H3 |
| InChIKey | ABAOOZKMMPOHAG-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 | 9HJycK5P5lL |
|---|---|
| Name | 2H-Pyran-2-one, 4-hydroxy-3-(1-oxooctyl)-6-pentyl- |
| 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/c1-3-5-7-8-10-12-15(19)17-16(20)13-14(22-18(17)21)11-9-6-4-2/h13,20H,3-12H2,1-2H3 |
| InChIKey | ABAOOZKMMPOHAG-UHFFFAOYSA-N |
| Molecular Weight | 308.418 g/mol |
| SMILES | C=1(C(OC(=CC1O)CCCCC)=O)C(=O)CCCCCCC |