![2-[5-(1,3-Benzothiazol-2-yl)-2-furanyl]-2-hydroxyacetonitrile](/api/spectrum/BVCwm9Wqu1j/structure.png?h=300&w=458 "2-[5-(1,3-Benzothiazol-2-yl)-2-furanyl]-2-hydroxyacetonitrile")
| SpectraBase Compound ID | LugeXlCIC9j |
|---|---|
| InChI | InChI=1S/C13H8N2O2S/c14-7-9(16)10-5-6-11(17-10)13-15-8-3-1-2-4-12(8)18-13/h1-6,9,16H |
| InChIKey | QESZYHDFJRFTOG-UHFFFAOYSA-N |
| Mol Weight | 256.28 g/mol |
| Molecular Formula | C13H8N2O2S |
| Exact Mass | 256.030649 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BVCwm9Wqu1j |
|---|---|
| Name | 2-[5-(1,3-Benzothiazol-2-yl)-2-furanyl]-2-hydroxyacetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.030648678 u |
| Formula | C13H8N2O2S |
| InChI | InChI=1S/C13H8N2O2S/c14-7-9(16)10-5-6-11(17-10)13-15-8-3-1-2-4-12(8)18-13/h1-6,9,16H |
| InChIKey | QESZYHDFJRFTOG-UHFFFAOYSA-N |
| SMILES | C1(=NC2=CC=CC=C2S1)C=1OC(C(C#N)O)=CC1 |