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(2R,4S)-5,5-Dimethyl-1,2,4-hexantriol

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

(2R,4S)-5,5-Dimethyl-1,2,4-hexantriol
SpectraBase Compound ID wbgNO0wmjW
InChI InChI=1S/C8H18O3/c1-8(2,3)7(11)4-6(10)5-9/h6-7,9-11H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKey QLSOOCKESYOANY-RQJHMYQMSA-N
Mol Weight 162.23 g/mol
Molecular Formula C8H18O3
Exact Mass 162.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2LoxltvGpis
Name (2R,4S)-5,5-Dimethyl-1,2,4-hexantriol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 162.125594437 u
Formula C8H18O3
InChI InChI=1S/C8H18O3/c1-8(2,3)7(11)4-6(10)5-9/h6-7,9-11H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKey QLSOOCKESYOANY-RQJHMYQMSA-N
Molecular Weight 162.229 g/mol
SMILES C([C@@](C(C)(C)C)(O)[H])[C@@](O)(CO)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960004