![Benzo[b]thiophene, 1,1-dioxide](/api/spectrum/90HCjwUB87l/structure.png?h=300&w=458 "Benzo[b]thiophene, 1,1-dioxide")
| SpectraBase Compound ID | GBdGxW2SG0n |
|---|---|
| InChI | InChI=1S/C8H6O2S/c9-11(10)6-5-7-3-1-2-4-8(7)11/h1-6H |
| InChIKey | FRJNKYGTHPUSJR-UHFFFAOYSA-N |
| Mol Weight | 166.19 g/mol |
| Molecular Formula | C8H6O2S |
| Exact Mass | 166.008851 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 90HCjwUB87l |
|---|---|
| Name | Benzo[B]thiophene, 1,1-dioxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.008850605 u |
| Formula | C8H6O2S |
| InChI | InChI=1S/C8H6O2S/c9-11(10)6-5-7-3-1-2-4-8(7)11/h1-6H |
| InChIKey | FRJNKYGTHPUSJR-UHFFFAOYSA-N |
| Molecular Weight | 166.194 g/mol |
| SMILES | C=12C=CC=CC1S(C=C2)(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.82424 |