![p-Methoxyphenyl 2-[(ethoxycarbonyl)thio])benzoate](/api/spectrum/RSs4xT6zvo/structure.png?h=300&w=458 "p-Methoxyphenyl 2-[(ethoxycarbonyl)thio])benzoate")
| SpectraBase Compound ID | 9MKKwdJCwHX |
|---|---|
| InChI | InChI=1S/C17H16O5S/c1-3-21-17(19)23-15-7-5-4-6-14(15)16(18)22-13-10-8-12(20-2)9-11-13/h4-11H,3H2,1-2H3 |
| InChIKey | DMFAQYVHPWLHPU-UHFFFAOYSA-N |
| Mol Weight | 332.37 g/mol |
| Molecular Formula | C17H16O5S |
| Exact Mass | 332.071845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | RSs4xT6zvo |
|---|---|
| Name | p-Methoxyphenyl 2-[(ethoxycarbonyl)thio])benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.071844784 u |
| Formula | C17H16O5S |
| InChI | InChI=1S/C17H16O5S/c1-3-21-17(19)23-15-7-5-4-6-14(15)16(18)22-13-10-8-12(20-2)9-11-13/h4-11H,3H2,1-2H3 |
| InChIKey | DMFAQYVHPWLHPU-UHFFFAOYSA-N |
| Molecular Weight | 332.370 g/mol |
| SMILES | C(C1=C(SC(=O)OCC)C=CC=C1)(OC1=CC=C(C=C1)OC)=O |