| SpectraBase Compound ID | 9vbhMAC6eH0 |
|---|---|
| InChI | InChI=1S/C13H16O4/c14-11-6-12(17-13(15)7-11)9-16-8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2/t11-,12+/m1/s1 |
| InChIKey | PZYGMFAUTZFACP-NEPJUHHUSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CUr8lnNhHd1 |
|---|---|
| Name | (4R,6S)-4-Hydroxy-6-(phenylmethoxymethyl)-2-oxanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.104858991 u |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c14-11-6-12(17-13(15)7-11)9-16-8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2/t11-,12+/m1/s1 |
| InChIKey | PZYGMFAUTZFACP-NEPJUHHUSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C1(C[C@@](C[C@](O1)(COCC=1C=CC=CC1)[H])(O)[H])=O |