| SpectraBase Compound ID | EHsz6kkxmqE |
|---|---|
| InChI | InChI=1S/C16H22O6/c1-3-19-9-11-21-15(17)13-5-7-14(8-6-13)16(18)22-12-10-20-4-2/h5-8H,3-4,9-12H2,1-2H3 |
| InChIKey | PTINJMSTTLBEHT-UHFFFAOYSA-N |
| Mol Weight | 310.35 g/mol |
| Molecular Formula | C16H22O6 |
| Exact Mass | 310.141638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EFxjleuxkTO |
|---|---|
| Name | Terephthalic acid, di(2-ethoxyethyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.141638422 u |
| Formula | C16H22O6 |
| InChI | InChI=1S/C16H22O6/c1-3-19-9-11-21-15(17)13-5-7-14(8-6-13)16(18)22-12-10-20-4-2/h5-8H,3-4,9-12H2,1-2H3 |
| InChIKey | PTINJMSTTLBEHT-UHFFFAOYSA-N |
| Molecular Weight | 310.346 g/mol |
| SMILES | C(OC(=O)C1=CC=C(C=C1)C(=O)OCCOCC)COCC |