| SpectraBase Compound ID | K49vbTOMftf |
|---|---|
| InChI | InChI=1S/C16H22O5/c1-4-19-9-10-20-15(17)13-5-7-14(8-6-13)16(18)21-11-12(2)3/h5-8,12H,4,9-11H2,1-3H3 |
| InChIKey | NJTZCUQILIONMT-UHFFFAOYSA-N |
| Mol Weight | 294.35 g/mol |
| Molecular Formula | C16H22O5 |
| Exact Mass | 294.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5uYUpibRFsT |
|---|---|
| Name | Terephthalic acid, 2-ethoxyethyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.146723803 u |
| Formula | C16H22O5 |
| InChI | InChI=1S/C16H22O5/c1-4-19-9-10-20-15(17)13-5-7-14(8-6-13)16(18)21-11-12(2)3/h5-8,12H,4,9-11H2,1-3H3 |
| InChIKey | NJTZCUQILIONMT-UHFFFAOYSA-N |
| Molecular Weight | 294.347 g/mol |
| SMILES | CC(COC(=O)C1=CC=C(C=C1)C(=O)OCCOCC)C |