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(4R,5R,6S)-4-Acetyloxymethyl-6-phenylthiomethyl-2,2,5-trimethyl-1,3-dioxane
SpectraBase Compound ID 2ESVZU0t7yj
InChI InChI=1S/C17H24O4S/c1-12-15(10-19-13(2)18)20-17(3,4)21-16(12)11-22-14-8-6-5-7-9-14/h5-9,12,15-16H,10-11H2,1-4H3/t12-,15+,16-/m1/s1
InChIKey HROHYMNCGZMISJ-UHOFOFEASA-N
Mol Weight 324.44 g/mol
Molecular Formula C17H24O4S
Exact Mass 324.13953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IUyJuozM6CZ
Name (4R,5R,6S)-4-Acetyloxymethyl-6-phenylthiomethyl-2,2,5-trimethyl-1,3-dioxane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O4S
InChI InChI=1S/C17H24O4S/c1-12-15(10-19-13(2)18)20-17(3,4)21-16(12)11-22-14-8-6-5-7-9-14/h5-9,12,15-16H,10-11H2,1-4H3/t12-,15+,16-/m1/s1
InChIKey HROHYMNCGZMISJ-UHOFOFEASA-N
Molecular Weight 324.435 g/mol
SMILES C1(O[C@](CSc2ccccc2)([C@@]([C@@](O1)(COC(=O)C)[H])(C)[H])[H])(C)C
SPLASH splash10-0006-0904000000-552f369d3678895269ac
Source of Spectrum F-53-9783-14
Synonyms 1-O-acetyl-3-deoxy-3-methyl-2,4-O-(1-methylethylidene)-5-S-phenyl-5-thio-D-xylitol
Wiley ID 803051