![Acetic acid 3-[1,3]dioxolan-2-yl-1-phenyl-propyl ester](/api/spectrum/6ko3p7sFrBT/structure.png?h=300&w=458 "Acetic acid 3-[1,3]dioxolan-2-yl-1-phenyl-propyl ester")
| SpectraBase Compound ID | B0WcLB2HHAL |
|---|---|
| InChI | InChI=1S/C14H18O4/c1-11(15)18-13(12-5-3-2-4-6-12)7-8-14-16-9-10-17-14/h2-6,13-14H,7-10H2,1H3 |
| InChIKey | NLPMUCDTFGBAPG-UHFFFAOYSA-N |
| Mol Weight | 250.29 g/mol |
| Molecular Formula | C14H18O4 |
| Exact Mass | 250.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ko3p7sFrBT |
|---|---|
| Name | Acetic acid 3-[1,3]dioxolan-2-yl-1-phenyl-propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.120509056 u |
| Formula | C14H18O4 |
| InChI | InChI=1S/C14H18O4/c1-11(15)18-13(12-5-3-2-4-6-12)7-8-14-16-9-10-17-14/h2-6,13-14H,7-10H2,1H3 |
| InChIKey | NLPMUCDTFGBAPG-UHFFFAOYSA-N |
| Molecular Weight | 250.294 g/mol |
| SMILES | c1cc(ccc1)C(CCC1OCCO1)OC(C)=O |