| SpectraBase Compound ID | 7Y3vGRb22it |
|---|---|
| InChI | InChI=1S/C17H22O6/c1-3-17(9-20-12-21-10-17)11-23-16(19)14-7-5-13(6-8-14)15(18)22-4-2/h5-8H,3-4,9-12H2,1-2H3 |
| InChIKey | GURAUBOBOBHODI-UHFFFAOYSA-N |
| Mol Weight | 322.36 g/mol |
| Molecular Formula | C17H22O6 |
| Exact Mass | 322.141638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6b9Df1VXT36 |
|---|---|
| Name | Terephthalic acid, ethyl (5-ethyl-1,3-dioxan-5-yl)methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.141638422 u |
| Formula | C17H22O6 |
| InChI | InChI=1S/C17H22O6/c1-3-17(9-20-12-21-10-17)11-23-16(19)14-7-5-13(6-8-14)15(18)22-4-2/h5-8H,3-4,9-12H2,1-2H3 |
| InChIKey | GURAUBOBOBHODI-UHFFFAOYSA-N |
| Molecular Weight | 322.357 g/mol |
| SMILES | C1=CC(=CC=C1C(OCC1(CC)COCOC1)=O)C(OCC)=O |