SpectraBase Compound ID | KdrlLByNCyG |
---|---|
InChI | InChI=1S/C6H14OS/c1-6(2)5-8-4-3-7/h6-7H,3-5H2,1-2H3 |
InChIKey | PSCYOFJZGIAXOL-UHFFFAOYSA-N |
Mol Weight | 134.24 g/mol |
Molecular Formula | C6H14OS |
Exact Mass | 134.076536 g/mol |
SpectraBase Spectrum ID | KBexPkefaTm |
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Name | 2-Hydroxyethyl isobutyl sulfide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 134.076536244 u |
Formula | C6H14OS |
InChI | InChI=1S/C6H14OS/c1-6(2)5-8-4-3-7/h6-7H,3-5H2,1-2H3 |
InChIKey | PSCYOFJZGIAXOL-UHFFFAOYSA-N |
SMILES | C(O)CSCC(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963305 |