| SpectraBase Compound ID | AlgDKomy9fK |
|---|---|
| InChI | InChI=1S/C12H18O4/c1-15-9-16-8-11(13)7-12(14)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12+/m1/s1 |
| InChIKey | VOKFZSKSWOSEGW-NEPJUHHUSA-N |
| Mol Weight | 226.27 g/mol |
| Molecular Formula | C12H18O4 |
| Exact Mass | 226.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AnMmOn4FPXG |
|---|---|
| Name | (1S,3R)-4-(Methoxymethoxy)-1-phenyl-butane-1,3-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.120509056 u |
| Formula | C12H18O4 |
| InChI | InChI=1S/C12H18O4/c1-15-9-16-8-11(13)7-12(14)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12+/m1/s1 |
| InChIKey | VOKFZSKSWOSEGW-NEPJUHHUSA-N |
| Molecular Weight | 226.272 g/mol |
| SMILES | C([C@@](C1=CC=CC=C1)(O)[H])[C@@](O)(COCOC)[H] |