| SpectraBase Compound ID | 1tVGDicn0Bf |
|---|---|
| InChI | InChI=1S/C5H10O2S/c1-5-3-2-4-8(5,6)7/h5H,2-4H2,1H3 |
| InChIKey | PPDFQRAASCRJAH-UHFFFAOYSA-N |
| Mol Weight | 134.19 g/mol |
| Molecular Formula | C5H10O2S |
| Exact Mass | 134.040151 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BV2AaM21HYN |
|---|---|
| Name | 2-Methyltetrahydrothiophene, 1,1-dioxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 134.040150734 u |
| Formula | C5H10O2S |
| InChI | InChI=1S/C5H10O2S/c1-5-3-2-4-8(5,6)7/h5H,2-4H2,1H3 |
| InChIKey | PPDFQRAASCRJAH-UHFFFAOYSA-N |
| Molecular Weight | 134.193 g/mol |
| SMILES | C1CCC(S1(=O)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.953534 |