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(2R,3S)-1-(1,3-dithian-2-yl)-3-methyl-2-pentanol

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

(2R,3S)-1-(1,3-dithian-2-yl)-3-methyl-2-pentanol
SpectraBase Compound ID AZnwFc4kUS6
InChI InChI=1S/C10H20OS2/c1-3-8(2)9(11)7-10-12-5-4-6-13-10/h8-11H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKey YCGDEPUDNLXSOU-DTWKUNHWSA-N
Mol Weight 220.39 g/mol
Molecular Formula C10H20OS2
Exact Mass 220.095558 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BWT3xboq9Fc
Name (2R,3S)-1-(1,3-Dithian-2-yl)-3-methyl-2-pentanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.095557611 u
Formula C10H20OS2
InChI InChI=1S/C10H20OS2/c1-3-8(2)9(11)7-10-12-5-4-6-13-10/h8-11H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKey YCGDEPUDNLXSOU-DTWKUNHWSA-N
Molecular Weight 220.389 g/mol
SMILES C(C1SCCCS1)[C@]([C@](CC)(C)[H])(O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.883911