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(4R,5R,6S)-4-Hydroxymethyl-6-phenylthiomethyl-2,2,5-trimethyl-1,3-dioxane
SpectraBase Compound ID CukxZTWdWTL
InChI InChI=1S/C15H22O3S/c1-11-13(9-16)17-15(2,3)18-14(11)10-19-12-7-5-4-6-8-12/h4-8,11,13-14,16H,9-10H2,1-3H3/t11-,13+,14-/m1/s1
InChIKey UPOUEHSGEDYEMK-KWCYVHTRSA-N
Mol Weight 282.4 g/mol
Molecular Formula C15H22O3S
Exact Mass 282.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 25SKV0RpfzG
Name (4R,5R,6S)-4-Hydroxymethyl-6-phenylthiomethyl-2,2,5-trimethyl-1,3-dioxane
Alternate Name(s) 3-deoxy-3-methyl-2,4-O-(1-methylethylidene)-5-S-phenyl-5-thio-D-xylitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3S
InChI InChI=1S/C15H22O3S/c1-11-13(9-16)17-15(2,3)18-14(11)10-19-12-7-5-4-6-8-12/h4-8,11,13-14,16H,9-10H2,1-3H3/t11-,13+,14-/m1/s1
InChIKey UPOUEHSGEDYEMK-KWCYVHTRSA-N
Molecular Weight 282.398 g/mol
SMILES OC[C@]1([C@@](C)([C@](OC(O1)(C)C)(CSc1ccccc1)[H])[H])[H]
SPLASH splash10-0udi-0940000000-de5e4243dd4050afa2fa
Source of Spectrum F-53-9784-15
Wiley ID 803050