| SpectraBase Compound ID | GzzGgLBk7bT |
|---|---|
| InChI | InChI=1S/C9H16O4/c1-12-9(11)5-4-8-7(10)3-2-6-13-8/h7-8,10H,2-6H2,1H3 |
| InChIKey | LXQONPNQPZONHV-UHFFFAOYSA-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 | LfP13Nw5w0E |
|---|---|
| Name | Methyl 3-(3-hydroxytetrahydro-2H-pyran-2-yl)propanoate |
| 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/c1-12-9(11)5-4-8-7(10)3-2-6-13-8/h7-8,10H,2-6H2,1H3 |
| InChIKey | LXQONPNQPZONHV-UHFFFAOYSA-N |
| Molecular Weight | 188.223 g/mol |
| SMILES | C(=O)(CCC1C(CCCO1)O)OC |