![{[2-(2-thienyl)-1H-indol-3-yl]sulfanyl}acetic acid](/api/spectrum/K5GPya1sEsP/structure.png?h=300&w=458 "{[2-(2-thienyl)-1H-indol-3-yl]sulfanyl}acetic acid")
| SpectraBase Compound ID | Ccd4AIsiCE0 |
|---|---|
| InChI | InChI=1S/C14H11NO2S2/c16-12(17)8-19-14-9-4-1-2-5-10(9)15-13(14)11-6-3-7-18-11/h1-7,15H,8H2,(H,16,17) |
| InChIKey | JKGNHXYZSCQLCL-UHFFFAOYSA-N |
| Mol Weight | 289.37 g/mol |
| Molecular Formula | C14H11NO2S2 |
| Exact Mass | 289.023121 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K5GPya1sEsP |
|---|---|
| Name | {[2-(2-Thienyl)-1H-indol-3-yl]sulfanyl}acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.023120944 u |
| Formula | C14H11NO2S2 |
| InChI | InChI=1S/C14H11NO2S2/c16-12(17)8-19-14-9-4-1-2-5-10(9)15-13(14)11-6-3-7-18-11/h1-7,15H,8H2,(H,16,17) |
| InChIKey | JKGNHXYZSCQLCL-UHFFFAOYSA-N |
| Molecular Weight | 289.367 g/mol |
| SMILES | N1C=2C=CC=CC2C(SCC(=O)O)=C1C=1SC=CC1 |