SpectraBase Compound ID | 1PLu3N7Hleq |
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InChI | InChI=1S/C8H16O3S/c1-8(2)10-5-7(11-8)6-12-4-3-9/h7,9H,3-6H2,1-2H3 |
InChIKey | TZHPKRFZGIAUEU-UHFFFAOYSA-N |
Mol Weight | 192.27 g/mol |
Molecular Formula | C8H16O3S |
Exact Mass | 192.082016 g/mol |
SpectraBase Spectrum ID | 55IalyfzNRa |
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Name | 4-[[(2-hydroxyethyl)thio]methyl]-2,2-dimethyl-1,3-dioxolane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 192.082015546 u |
Formula | C8H16O3S |
InChI | InChI=1S/C8H16O3S/c1-8(2)10-5-7(11-8)6-12-4-3-9/h7,9H,3-6H2,1-2H3 |
InChIKey | TZHPKRFZGIAUEU-UHFFFAOYSA-N |
Molecular Weight | 192.273 g/mol |
SMILES | C1(OC(CSCCO)CO1)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.986112 |