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(2R,4S)-1,3,5-Triacetoxy-2,4-dimethylpentane

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

(2R,4S)-1,3,5-Triacetoxy-2,4-dimethylpentane
SpectraBase Compound ID 43LuZTUTxtv
InChI InChI=1S/C13H22O6/c1-8(6-17-10(3)14)13(19-12(5)16)9(2)7-18-11(4)15/h8-9,13H,6-7H2,1-5H3/t8-,9+,13?
InChIKey MOSHXFBNXNSGLL-PHXKMMTBSA-N
Mol Weight 274.31 g/mol
Molecular Formula C13H22O6
Exact Mass 274.141638 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6aIJ9uhomKo
Name (2R,4S)-1,3,5-Triacetoxy-2,4-dimethylpentane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.141638422 u
Formula C13H22O6
InChI InChI=1S/C13H22O6/c1-8(6-17-10(3)14)13(19-12(5)16)9(2)7-18-11(4)15/h8-9,13H,6-7H2,1-5H3/t8-,9+,13?
InChIKey MOSHXFBNXNSGLL-PHXKMMTBSA-N
SMILES C(OC(=O)C)([C@@](COC(=O)C)(C)[H])[C@](COC(=O)C)(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96396