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(R)-1,2-o-Isopropylidene-4-o-(methylthiomethyl)butane-1,2,4-triol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(R)-1,2-o-Isopropylidene-4-o-(methylthiomethyl)butane-1,2,4-triol
SpectraBase Compound ID AAeFh88Me4k
InChI InChI=1S/C9H18O3S/c1-9(2)11-6-8(12-9)4-5-10-7-13-3/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKey FXZKWNWIFWQMSQ-MRVPVSSYSA-N
Mol Weight 206.3 g/mol
Molecular Formula C9H18O3S
Exact Mass 206.097666 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1BWSNA8HfVZ
Name (R)-1,2-o-Isopropylidene-4-o-(methylthiomethyl)butane-1,2,4-triol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.097665611 u
Formula C9H18O3S
InChI InChI=1S/C9H18O3S/c1-9(2)11-6-8(12-9)4-5-10-7-13-3/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKey FXZKWNWIFWQMSQ-MRVPVSSYSA-N
Molecular Weight 206.300 g/mol
SMILES C1(O[C@](CCOCSC)(CO1)[H])(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963695