| SpectraBase Compound ID | DJtVa0L4oJq |
|---|---|
| InChI | InChI=1S/C21H24O4S/c1-3-4-5-6-15-24-20(22)16-7-9-17(10-8-16)21(23)25-18-11-13-19(26-2)14-12-18/h7-14H,3-6,15H2,1-2H3 |
| InChIKey | MMQOZUJKTRORQA-UHFFFAOYSA-N |
| Mol Weight | 372.48 g/mol |
| Molecular Formula | C21H24O4S |
| Exact Mass | 372.13953 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 30in2cpkr5R |
|---|---|
| Name | Terephthalic acid, hexyl 4-methylthiophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.139530423 u |
| Formula | C21H24O4S |
| InChI | InChI=1S/C21H24O4S/c1-3-4-5-6-15-24-20(22)16-7-9-17(10-8-16)21(23)25-18-11-13-19(26-2)14-12-18/h7-14H,3-6,15H2,1-2H3 |
| InChIKey | MMQOZUJKTRORQA-UHFFFAOYSA-N |
| Molecular Weight | 372.479 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCCCC)=O)C(=O)OC1=CC=C(SC)C=C1 |