| SpectraBase Compound ID | C6bYYATye69 |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-9(13)15-12(16-10(2)14)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3 |
| InChIKey | OOKJPCMVVRIOSO-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G9W4FQAhs1g |
|---|---|
| Name | 1,1-Ethanediol, 2-phenyl-, diacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.089208927 u |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-9(13)15-12(16-10(2)14)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3 |
| InChIKey | OOKJPCMVVRIOSO-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C(OC(=O)C)(OC(=O)C)CC=1C=CC=CC1 |