![5-tert-butyl-3-[(phenylthio)methyl]-2-thiophenecarboxylic acid, methyl ester](/api/spectrum/HjsBh9RNwGy/structure.png?h=300&w=458 "5-tert-butyl-3-[(phenylthio)methyl]-2-thiophenecarboxylic acid, methyl ester")
| SpectraBase Compound ID | 1kVD9I03vFA |
|---|---|
| InChI | InChI=1S/C17H20O2S2/c1-17(2,3)14-10-12(15(21-14)16(18)19-4)11-20-13-8-6-5-7-9-13/h5-10H,11H2,1-4H3 |
| InChIKey | LHGQBXCWCGFSJD-UHFFFAOYSA-N |
| Mol Weight | 320.47 g/mol |
| Molecular Formula | C17H20O2S2 |
| Exact Mass | 320.090472 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HjsBh9RNwGy |
|---|---|
| Name | 5-tert-butyl-3-[(phenylthio)methyl]-2-thiophenecarboxylic acid, methyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H20O2S2 |
| InChI | InChI=1S/C17H20O2S2/c1-17(2,3)14-10-12(15(21-14)16(18)19-4)11-20-13-8-6-5-7-9-13/h5-10H,11H2,1-4H3 |
| InChIKey | LHGQBXCWCGFSJD-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 48862M |
| Solvent | CDCl3 |