| SpectraBase Compound ID | B0bAYicytFa |
|---|---|
| InChI | InChI=1S/C14H11NO2S/c1-17-14(16)12-10-4-2-3-5-11(10)15-13(12)9-6-7-18-8-9/h2-8,15H,1H3 |
| InChIKey | UYIWHUDVRZLMLW-UHFFFAOYSA-N |
| Mol Weight | 257.31 g/mol |
| Molecular Formula | C14H11NO2S |
| Exact Mass | 257.05105 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7PsNBf70FP1 |
|---|---|
| Name | Methyl 2-(thiophen-3-yl)-1H-indole-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.051049770 u |
| Formula | C14H11NO2S |
| InChI | InChI=1S/C14H11NO2S/c1-17-14(16)12-10-4-2-3-5-11(10)15-13(12)9-6-7-18-8-9/h2-8,15H,1H3 |
| InChIKey | UYIWHUDVRZLMLW-UHFFFAOYSA-N |
| Molecular Weight | 257.307 g/mol |
| SMILES | C=1(NC=2C=CC=CC2C1C(=O)OC)C1=CSC=C1 |