| SpectraBase Compound ID | 6shRzBpjr61 |
|---|---|
| InChI | InChI=1S/C12H18O5/c1-16-10-4-2-9(3-5-10)8-17-12(7-14)11(15)6-13/h2-5,11-15H,6-8H2,1H3/t11-,12-/m1/s1 |
| InChIKey | PJXCABOWNRSIIN-VXGBXAGGSA-N |
| Mol Weight | 242.27 g/mol |
| Molecular Formula | C12H18O5 |
| Exact Mass | 242.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IwbxB4AdWa5 |
|---|---|
| Name | (2R,3R)-3-(4-Methoxybenzyloxy)-butan-1,2,4-triol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.115423675 u |
| Formula | C12H18O5 |
| InChI | InChI=1S/C12H18O5/c1-16-10-4-2-9(3-5-10)8-17-12(7-14)11(15)6-13/h2-5,11-15H,6-8H2,1H3/t11-,12-/m1/s1 |
| InChIKey | PJXCABOWNRSIIN-VXGBXAGGSA-N |
| Molecular Weight | 242.271 g/mol |
| SMILES | C([C@]([C@@](CO)(OCC1=CC=C(C=C1)OC)[H])(O)[H])O |