| SpectraBase Compound ID | 9Xv6879SBtv |
|---|---|
| InChI | InChI=1S/C14H8N2O2S3/c17-21(18,13-15-9-5-1-3-7-11(9)19-13)14-16-10-6-2-4-8-12(10)20-14/h1-8H |
| InChIKey | AVMBLBCBNFYRMX-UHFFFAOYSA-N |
| Mol Weight | 332.41 g/mol |
| Molecular Formula | C14H8N2O2S3 |
| Exact Mass | 331.974791 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | TOTG39zpfc |
|---|---|
| Name | Benzothiazole, 2-(2-benzothiazolylsulfonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.974791026 u |
| Formula | C14H8N2O2S3 |
| InChI | InChI=1S/C14H8N2O2S3/c17-21(18,13-15-9-5-1-3-7-11(9)19-13)14-16-10-6-2-4-8-12(10)20-14/h1-8H |
| InChIKey | AVMBLBCBNFYRMX-UHFFFAOYSA-N |
| Molecular Weight | 332.410 g/mol |
| SMILES | C1=CC=2SC(S(C3=NC=4C=CC=CC4S3)(=O)=O)=NC2C=C1 |