| SpectraBase Compound ID | JYurUGkbHLL |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-3-4-5-6-10-7-11(15-9(2)13)8-12(14)16-10/h10-11H,3-8H2,1-2H3 |
| InChIKey | GQUUWLXMECAQKU-UHFFFAOYSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C12H20O4 |
| Exact Mass | 228.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CHXoHsabJM7 |
|---|---|
| Name | 2H-Pyran-2-one, tetrahydro-4-hydroxy-6-pentyl-, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.136159120 u |
| Formula | C12H20O4 |
| InChI | InChI=1S/C12H20O4/c1-3-4-5-6-10-7-11(15-9(2)13)8-12(14)16-10/h10-11H,3-8H2,1-2H3 |
| InChIKey | GQUUWLXMECAQKU-UHFFFAOYSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | C1(CC(CC(O1)CCCCC)OC(C)=O)=O |