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(3S)-3-Methyl-3-(4-methylphenyl)pentane-1,4-diol
SpectraBase Compound ID 9Y0eLyruoOy
InChI InChI=1S/C13H20O2/c1-10-4-6-12(7-5-10)13(3,8-9-14)11(2)15/h4-7,11,14-15H,8-9H2,1-3H3/t11?,13-/m1/s1
InChIKey HZBPQEOKZVJVNK-GLGOKHISSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6UcJ8XbIx4C
Name (3S)-3-Methyl-3-(4-methylphenyl)pentane-1,4-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-10-4-6-12(7-5-10)13(3,8-9-14)11(2)15/h4-7,11,14-15H,8-9H2,1-3H3/t11?,13-/m1/s1
InChIKey HZBPQEOKZVJVNK-GLGOKHISSA-N
Molecular Weight 208.301 g/mol
SMILES OC([C@@](CCO)(c1ccc(cc1)C)C)C
SPLASH splash10-0159-2900000000-57160ce330be6b38fcee
Source of Spectrum J-57-3471-28
Synonyms (3S)-3-methyl-3-(4-methylphenyl)-1,4-pentanediol
Wiley ID 1207322