SpectraBase Compound ID | 9DX4ucmo1mi |
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InChI | InChI=1S/C5H11NS/c1-5(2)6-3-4-7-5/h6H,3-4H2,1-2H3 |
InChIKey | SNPQRYOQWLOTFA-UHFFFAOYSA-N |
Mol Weight | 117.21 g/mol |
Molecular Formula | C5H11NS |
Exact Mass | 117.061221 g/mol |
SpectraBase Spectrum ID | KhxtkNBOdfu |
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Name | 2,2-Dimethylthiazolidine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 117.061220532 u |
Formula | C5H11NS |
InChI | InChI=1S/C5H11NS/c1-5(2)6-3-4-7-5/h6H,3-4H2,1-2H3 |
InChIKey | SNPQRYOQWLOTFA-UHFFFAOYSA-N |
Molecular Weight | 117.210 g/mol |
SMILES | C1NC(SC1)(C)C |
Spectrum/Structure Validation Score (Raman) | 0.906124 |