| SpectraBase Compound ID | 4iUm0zZBtLc |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-10(14)16-13(3,17-11(2)15)9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3 |
| InChIKey | RIQFKGLNHZRGFQ-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4z0paYHy37T |
|---|---|
| Name | 1-Phenyl-propane-2,2-diol diethanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.104858991 u |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-10(14)16-13(3,17-11(2)15)9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3 |
| InChIKey | RIQFKGLNHZRGFQ-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C1(=CC=CC=C1)CC(OC(=O)C)(C)OC(=O)C |