| SpectraBase Compound ID | D1gJwaTQEN0 |
|---|---|
| InChI | InChI=1S/C19H20O4S/c1-13(2)12-22-18(20)14-4-6-15(7-5-14)19(21)23-16-8-10-17(24-3)11-9-16/h4-11,13H,12H2,1-3H3 |
| InChIKey | JTFYCFZJDIWATP-UHFFFAOYSA-N |
| Mol Weight | 344.43 g/mol |
| Molecular Formula | C19H20O4S |
| Exact Mass | 344.10823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kbst7MpdDzp |
|---|---|
| Name | Terephthalic acid, isobutyl 4-methylthiophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.108230294 u |
| Formula | C19H20O4S |
| InChI | InChI=1S/C19H20O4S/c1-13(2)12-22-18(20)14-4-6-15(7-5-14)19(21)23-16-8-10-17(24-3)11-9-16/h4-11,13H,12H2,1-3H3 |
| InChIKey | JTFYCFZJDIWATP-UHFFFAOYSA-N |
| Molecular Weight | 344.425 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCC(C)C)=O)C(=O)OC1=CC=C(SC)C=C1 |