| SpectraBase Compound ID | 47u86hTVc69 |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-3-11(14)16-13(17-12(15)4-2)10-8-6-5-7-9-10/h5-9,13H,3-4H2,1-2H3 |
| InChIKey | CEWIGVBIBCIBPQ-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 | LDWfdAF28Ov |
|---|---|
| Name | Phenylmethanediol dipropanoate |
| 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/c1-3-11(14)16-13(17-12(15)4-2)10-8-6-5-7-9-10/h5-9,13H,3-4H2,1-2H3 |
| InChIKey | CEWIGVBIBCIBPQ-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C1=C(C=CC=C1)C(OC(CC)=O)OC(=O)CC |