| SpectraBase Compound ID | 1YMZeffnN20 |
|---|---|
| InChI | InChI=1S/C17H16O4S/c1-3-20-16(18)12-4-6-13(7-5-12)17(19)21-14-8-10-15(22-2)11-9-14/h4-11H,3H2,1-2H3 |
| InChIKey | KGFOKTKZWMZWCM-UHFFFAOYSA-N |
| Mol Weight | 316.37 g/mol |
| Molecular Formula | C17H16O4S |
| Exact Mass | 316.07693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8KDztEdf2hA |
|---|---|
| Name | Terephthalic acid, ethyl 4-methylthiophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.076930165 u |
| Formula | C17H16O4S |
| InChI | InChI=1S/C17H16O4S/c1-3-20-16(18)12-4-6-13(7-5-12)17(19)21-14-8-10-15(22-2)11-9-14/h4-11H,3H2,1-2H3 |
| InChIKey | KGFOKTKZWMZWCM-UHFFFAOYSA-N |
| Molecular Weight | 316.371 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCC)=O)C(=O)OC1=CC=C(SC)C=C1 |