| SpectraBase Compound ID | 2cDjkOajjuy |
|---|---|
| InChI | InChI=1S/C8H8O2S/c11-6-1-2-7-8(5-6)10-4-3-9-7/h1-2,5,11H,3-4H2 |
| InChIKey | AJTXRGFHGWXIOZ-UHFFFAOYSA-N |
| Mol Weight | 168.21 g/mol |
| Molecular Formula | C8H8O2S |
| Exact Mass | 168.024501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 59X63l09Hkw |
|---|---|
| Name | 2,3-Dihydro-1,4-benzodioxin-6-thiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.024500670 u |
| Formula | C8H8O2S |
| InChI | InChI=1S/C8H8O2S/c11-6-1-2-7-8(5-6)10-4-3-9-7/h1-2,5,11H,3-4H2 |
| InChIKey | AJTXRGFHGWXIOZ-UHFFFAOYSA-N |
| Molecular Weight | 168.210 g/mol |
| SMILES | C1(S)=CC2=C(C=C1)OCCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966771 |