| SpectraBase Compound ID | DuEoKTIHHWQ |
|---|---|
| InChI | InChI=1S/C12H16O4/c1-9-5-3-4-6-12(9)16-8-11(14)7-15-10(2)13/h3-6,11,14H,7-8H2,1-2H3/t11-/m0/s1 |
| InChIKey | RKLHGOJSHSNCCB-NSHDSACASA-N |
| Mol Weight | 224.26 g/mol |
| Molecular Formula | C12H16O4 |
| Exact Mass | 224.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3tiY46tANEq |
|---|---|
| Name | (R)-3-(2-Methylphenoxy)propane-1,2-diol 1-acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.104858991 u |
| Formula | C12H16O4 |
| InChI | InChI=1S/C12H16O4/c1-9-5-3-4-6-12(9)16-8-11(14)7-15-10(2)13/h3-6,11,14H,7-8H2,1-2H3/t11-/m0/s1 |
| InChIKey | RKLHGOJSHSNCCB-NSHDSACASA-N |
| Molecular Weight | 224.256 g/mol |
| SMILES | C(=O)(OC[C@@](COC=1C(C)=CC=CC1)(O)[H])C |