| SpectraBase Compound ID | 7TLUoJctZmQ |
|---|---|
| InChI | InChI=1S/C18H18O4S/c1-3-12-21-17(19)13-4-6-14(7-5-13)18(20)22-15-8-10-16(23-2)11-9-15/h4-11H,3,12H2,1-2H3 |
| InChIKey | VPHUHSWTHPBCSS-UHFFFAOYSA-N |
| Mol Weight | 330.4 g/mol |
| Molecular Formula | C18H18O4S |
| Exact Mass | 330.09258 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9uGJ0UjPywQ |
|---|---|
| Name | Terephthalic acid, 4-methylthiophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.092580230 u |
| Formula | C18H18O4S |
| InChI | InChI=1S/C18H18O4S/c1-3-12-21-17(19)13-4-6-14(7-5-13)18(20)22-15-8-10-16(23-2)11-9-15/h4-11H,3,12H2,1-2H3 |
| InChIKey | VPHUHSWTHPBCSS-UHFFFAOYSA-N |
| Molecular Weight | 330.398 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCC)=O)C(=O)OC1=CC=C(SC)C=C1 |