| SpectraBase Compound ID | E9jJEkzM23x |
|---|---|
| InChI | InChI=1S/C17H16O4S/c1-3-21-17(19)13-9-5-7-11-15(13)22-14-10-6-4-8-12(14)16(18)20-2/h4-11H,3H2,1-2H3 |
| InChIKey | MTXWDPHCCKAKBH-UHFFFAOYSA-N |
| Mol Weight | 316.37 g/mol |
| Molecular Formula | C17H16O4S |
| Exact Mass | 316.07693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 68ztG0hVm0r |
|---|---|
| Name | 2,2'-Thio(dibenzoic acid), ethyl methyl diester |
| 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/c1-3-21-17(19)13-9-5-7-11-15(13)22-14-10-6-4-8-12(14)16(18)20-2/h4-11H,3H2,1-2H3 |
| InChIKey | MTXWDPHCCKAKBH-UHFFFAOYSA-N |
| Molecular Weight | 316.371 g/mol |
| SMILES | C1(=C(SC2=C(C(=O)OC)C=CC=C2)C=CC=C1)C(=O)OCC |