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(4R,5R,6S)-4-Acetyloxyethyl-6-phenylthiomethyl-2,2,5-trimethyl-1,3-dioxane

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

(4R,5R,6S)-4-Acetyloxyethyl-6-phenylthiomethyl-2,2,5-trimethyl-1,3-dioxane
SpectraBase Compound ID FFXShLTrkwQ
InChI InChI=1S/C18H26O4S/c1-13-16(10-11-20-14(2)19)21-18(3,4)22-17(13)12-23-15-8-6-5-7-9-15/h5-9,13,16-17H,10-12H2,1-4H3/t13-,16+,17-/m1/s1
InChIKey ZECHVLCBKMIXJR-XOKHGSTOSA-N
Mol Weight 338.46 g/mol
Molecular Formula C18H26O4S
Exact Mass 338.15518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kbt1Y1Qs6Mf
Name (4R,5R,6S)-4-Acetyloxyethyl-6-phenylthiomethyl-2,2,5-trimethyl-1,3-dioxane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.155180487 u
Formula C18H26O4S
InChI InChI=1S/C18H26O4S/c1-13-16(10-11-20-14(2)19)21-18(3,4)22-17(13)12-23-15-8-6-5-7-9-15/h5-9,13,16-17H,10-12H2,1-4H3/t13-,16+,17-/m1/s1
InChIKey ZECHVLCBKMIXJR-XOKHGSTOSA-N
Molecular Weight 338.462 g/mol
SMILES C1(O[C@](CSC=2C=CC=CC2)([C@@]([C@@](O1)(CCOC(=O)C)[H])(C)[H])[H])(C)C