| SpectraBase Compound ID | DgxOkazKD4D |
|---|---|
| InChI | InChI=1S/C12H7NO2S2/c14-7-8-5-6-11(15-8)17-12-13-9-3-1-2-4-10(9)16-12/h1-7H |
| InChIKey | QOMSTOWOVMDUQM-UHFFFAOYSA-N |
| Mol Weight | 261.31 g/mol |
| Molecular Formula | C12H7NO2S2 |
| Exact Mass | 260.991821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F9vIsEpMIpm |
|---|---|
| Name | Furane-2-carboxaldehyde, 5-(2-benzothiazolylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.991820815 u |
| Formula | C12H7NO2S2 |
| InChI | InChI=1S/C12H7NO2S2/c14-7-8-5-6-11(15-8)17-12-13-9-3-1-2-4-10(9)16-12/h1-7H |
| InChIKey | QOMSTOWOVMDUQM-UHFFFAOYSA-N |
| SMILES | C1(=NC=2C=CC=CC2S1)SC=1OC(C=O)=CC1 |