| SpectraBase Compound ID | WeMziLM0Hf |
|---|---|
| InChI | InChI=1S/C8H12O2S/c9-11(10)5-7-3-1-2-4-8(7)6-11/h1-2,7-8H,3-6H2/t7-,8+ |
| InChIKey | VSEMXKYLUQVDRJ-OCAPTIKFSA-N |
| Mol Weight | 172.24 g/mol |
| Molecular Formula | C8H12O2S |
| Exact Mass | 172.055801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BXrEuhTSPxI |
|---|---|
| Name | (3ar,7as)-1,3,3A,4,7,7A-Hexahydro-2-benzothiophene 2,2-dioxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.055800798 u |
| Formula | C8H12O2S |
| InChI | InChI=1S/C8H12O2S/c9-11(10)5-7-3-1-2-4-8(7)6-11/h1-2,7-8H,3-6H2/t7-,8+ |
| InChIKey | VSEMXKYLUQVDRJ-OCAPTIKFSA-N |
| SMILES | C1S(C[C@]2(CC=CC[C@@]12[H])[H])(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95302 |