| SpectraBase Compound ID | 2Fxaz1jSrOF |
|---|---|
| InChI | InChI=1S/C8H8OS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-6H,1H3 |
| InChIKey | HUKXTSJIYUFTEP-UHFFFAOYSA-N |
| Mol Weight | 152.21 g/mol |
| Molecular Formula | C8H8OS |
| Exact Mass | 152.029586 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Deb3lRz9Lrs |
|---|---|
| Name | 2-Methyl-1,3-benzoxathiole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.029586051 u |
| Formula | C8H8OS |
| InChI | InChI=1S/C8H8OS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-6H,1H3 |
| InChIKey | HUKXTSJIYUFTEP-UHFFFAOYSA-N |
| Molecular Weight | 152.211 g/mol |
| SMILES | C1(SC=2C(O1)=CC=CC2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.825507 |