| SpectraBase Compound ID | ApiC7twJ4lp |
|---|---|
| InChI | InChI=1S/C15H18O6/c1-9(19-10(2)16)15(21-12(4)18)13-5-7-14(8-6-13)20-11(3)17/h5-9,15H,1-4H3 |
| InChIKey | CNYAAOSFGVATMK-UHFFFAOYSA-N |
| Mol Weight | 294.3 g/mol |
| Molecular Formula | C15H18O6 |
| Exact Mass | 294.110338 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cznpu4JLfrb |
|---|---|
| Name | 1-(4-Acetoxyphenyl)propane-1,2-diyl diacetate (isomer 1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.110338294 u |
| Formula | C15H18O6 |
| InChI | InChI=1S/C15H18O6/c1-9(19-10(2)16)15(21-12(4)18)13-5-7-14(8-6-13)20-11(3)17/h5-9,15H,1-4H3 |
| InChIKey | CNYAAOSFGVATMK-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)C(C(C)OC(C)=O)OC(C)=O)OC(C)=O |