| SpectraBase Compound ID | HXHbBNPkfn7 |
|---|---|
| InChI | InChI=1S/C12H18O4/c1-16-11-4-2-10(3-5-11)6-12(7-13,8-14)9-15/h2-5,13-15H,6-9H2,1H3 |
| InChIKey | LQIUQEMDDPAPFN-UHFFFAOYSA-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 | ColchtP0fLg |
|---|---|
| Name | Diethyl 2-(p-methoxybenzyl)-2-(hydroxymethyl)propane-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/c1-16-11-4-2-10(3-5-11)6-12(7-13,8-14)9-15/h2-5,13-15H,6-9H2,1H3 |
| InChIKey | LQIUQEMDDPAPFN-UHFFFAOYSA-N |
| Molecular Weight | 226.272 g/mol |
| SMILES | C(CC=1C=CC(=CC1)OC)(CO)(CO)CO |