SpectraBase Compound ID | 135KF0LiBB8 |
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InChI | InChI=1S/C10H22O2S/c1-6-11-9(12-7-2)8-13-10(3,4)5/h9H,6-8H2,1-5H3 |
InChIKey | WYTLRTSUMWWKRV-UHFFFAOYSA-N |
Mol Weight | 206.34 g/mol |
Molecular Formula | C10H22O2S |
Exact Mass | 206.134051 g/mol |
SpectraBase Spectrum ID | IS6Bky9KD3V |
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Name | 2-T-Butylthioacetaldehyde diethylacetal |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 206.134051120 u |
Formula | C10H22O2S |
InChI | InChI=1S/C10H22O2S/c1-6-11-9(12-7-2)8-13-10(3,4)5/h9H,6-8H2,1-5H3 |
InChIKey | WYTLRTSUMWWKRV-UHFFFAOYSA-N |
Molecular Weight | 206.344 g/mol |
SMILES | C(SCC(OCC)OCC)(C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946123 |