| SpectraBase Compound ID | Ls70bTASBFx |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-16-12(14)11(13(15)17-2)9-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3 |
| InChIKey | KYTXLTMZYOTSDM-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 | F30yMUE1fuq |
|---|---|
| Name | Propanedioic acid, (2-phenylethyl)-, dimethyl ester |
| 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/c1-16-12(14)11(13(15)17-2)9-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3 |
| InChIKey | KYTXLTMZYOTSDM-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C1(=CC=CC=C1)CCC(C(=O)OC)C(OC)=O |