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(2R,3R,4R,5S)-5-(4-Methoxybenzyloxymethyl)-3-methylhexane-1,2,4-triol
SpectraBase Compound ID B7z5yP7jL0I
InChI InChI=1S/C16H26O5/c1-11(16(19)12(2)15(18)8-17)9-21-10-13-4-6-14(20-3)7-5-13/h4-7,11-12,15-19H,8-10H2,1-3H3/t11-,12-,15-,16+/m0/s1
InChIKey QUKUKGPQVSRYDF-GVAFMPQTSA-N
Mol Weight 298.38 g/mol
Molecular Formula C16H26O5
Exact Mass 298.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AIUGUMKPxk
Name (2R,3R,4R,5S)-5-(4-Methoxybenzyloxymethyl)-3-methylhexane-1,2,4-triol
Alternate Name(s) 2,4-Dideoxy-1-O-(4-methoxybenzyl)-2,4-dimethyl-L-altritol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O5
InChI InChI=1S/C16H26O5/c1-11(16(19)12(2)15(18)8-17)9-21-10-13-4-6-14(20-3)7-5-13/h4-7,11-12,15-19H,8-10H2,1-3H3/t11-,12-,15-,16+/m0/s1
InChIKey QUKUKGPQVSRYDF-GVAFMPQTSA-N
Molecular Weight 298.379 g/mol
SMILES O[C@@]([C@]([C@](CO)(O)[H])(C)[H])([C@](COCc1ccc(cc1)OC)(C)[H])[H]
SPLASH splash10-00di-0900000000-33a453fcae77876961ab
Source of Spectrum F-52-539-19
Wiley ID 794577