| SpectraBase Compound ID | B7Fxt6FVpqj |
|---|---|
| InChI | InChI=1S/C9H16O4/c1-6-3-7(10)4-8(13-6)5-9(11)12-2/h6-8,10H,3-5H2,1-2H3/t6-,7?,8?/m1/s1 |
| InChIKey | KHBGJSRSWUWXNN-JECWYVHBSA-N |
| Mol Weight | 188.22 g/mol |
| Molecular Formula | C9H16O4 |
| Exact Mass | 188.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IebG1L9CGVD |
|---|---|
| Name | (+ -)-Methyl (2,6-cis-4-hydroxy-6-methyltetrahydropyran-2-yl)acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.104858991 u |
| Formula | C9H16O4 |
| InChI | InChI=1S/C9H16O4/c1-6-3-7(10)4-8(13-6)5-9(11)12-2/h6-8,10H,3-5H2,1-2H3/t6-,7?,8?/m1/s1 |
| InChIKey | KHBGJSRSWUWXNN-JECWYVHBSA-N |
| Molecular Weight | 188.223 g/mol |
| SMILES | C1(CC(=O)OC)O[C@](C)(CC(C1)O)[H] |