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(1S)-1-[(3R,6R)-6-methyl-6-(4-methylphenyl)-1,2-dioxan-3-yl]ethane-1,2-diol

View entire compound with spectra: 1 MS (GC)

(1S)-1-[(3R,6R)-6-methyl-6-(4-methylphenyl)-1,2-dioxan-3-yl]ethane-1,2-diol
SpectraBase Compound ID 2amBGEEVpMW
InChI InChI=1S/C14H20O4/c1-10-3-5-11(6-4-10)14(2)8-7-13(17-18-14)12(16)9-15/h3-6,12-13,15-16H,7-9H2,1-2H3/t12-,13+,14+/m0/s1
InChIKey IRGKOEPLJOFPOC-BFHYXJOUSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5S9KrKvKx6
Name (1S)-1-[(3R,6R)-6-methyl-6-(4-methylphenyl)-1,2-dioxan-3-yl]ethane-1,2-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-10-3-5-11(6-4-10)14(2)8-7-13(17-18-14)12(16)9-15/h3-6,12-13,15-16H,7-9H2,1-2H3/t12-,13+,14+/m0/s1
InChIKey IRGKOEPLJOFPOC-BFHYXJOUSA-N
Molecular Weight 252.310 g/mol
SMILES O[C@@](CO)([C@@]1(OO[C@@](c2ccc(cc2)C)(CC1)C)[H])[H]
SPLASH splash10-014i-3900000000-c014fb6388a20bb2092e
Source of Spectrum J-60-3043-16
Synonyms (1S)-1-[(3R,6R)-6-methyl-6-(4-methylphenyl)-3-dioxanyl]ethane-1,2-diol (1S)-1-[(3R,6R)-6-methyl-6-(4-methylphenyl)dioxan-3-yl]ethane-1,2-diol (1S)-1-[(3R,6R)-6-methyl-6-(p-tolyl)dioxan-3-yl]ethane-1,2-diol
Wiley ID 1255626