| SpectraBase Compound ID | CATsG02ljKj |
|---|---|
| InChI | InChI=1S/C13H20O3/c1-13(2,3)10-4-6-12(7-5-10)16-9-11(15)8-14/h4-7,11,14-15H,8-9H2,1-3H3 |
| InChIKey | RQALAXUIVBCOQY-UHFFFAOYSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C13H20O3 |
| Exact Mass | 224.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EIkbtuSl1X2 |
|---|---|
| Name | 3-(p-Tert-butylphenoxy)-1,2-propanediol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.141244501 u |
| Formula | C13H20O3 |
| InChI | InChI=1S/C13H20O3/c1-13(2,3)10-4-6-12(7-5-10)16-9-11(15)8-14/h4-7,11,14-15H,8-9H2,1-3H3 |
| InChIKey | RQALAXUIVBCOQY-UHFFFAOYSA-N |
| Molecular Weight | 224.300 g/mol |
| SMILES | OCC(COC1=CC=C(C=C1)C(C)(C)C)O |