| SpectraBase Compound ID | 71zkgxgmPex |
|---|---|
| InChI | InChI=1S/C14H10N2O3S/c1-19-14(18)11-7-20-13(16-11)12(17)9-6-15-10-5-3-2-4-8(9)10/h2-7,15H,1H3 |
| InChIKey | KDDXOGDIPZSCTM-UHFFFAOYSA-N |
| Mol Weight | 286.3 g/mol |
| Molecular Formula | C14H10N2O3S |
| Exact Mass | 286.041213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8i4f6EzQCVi |
|---|---|
| Name | 2-(1H-Indole-3-carbonyl)thiazole-4-carboxylic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.041213361 u |
| Formula | C14H10N2O3S |
| InChI | InChI=1S/C14H10N2O3S/c1-19-14(18)11-7-20-13(16-11)12(17)9-6-15-10-5-3-2-4-8(9)10/h2-7,15H,1H3 |
| InChIKey | KDDXOGDIPZSCTM-UHFFFAOYSA-N |
| SMILES | C1(C(C2=NC(C(=O)OC)=CS2)=O)=CNC2=C1C=CC=C2 |