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(1S,2S,3R)-1-Phenyl-2-methyl-1,3-butanediol
SpectraBase Compound ID G0GcNP1sUAG
InChI InChI=1S/C11H16O2/c1-8(9(2)12)11(13)10-6-4-3-5-7-10/h3-9,11-13H,1-2H3/t8-,9+,11-/m0/s1
InChIKey QHXAOJQLZHLLON-NGZCFLSTSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LMoe7h9lj5t
Name (1S,2S,3R)-1-Phenyl-2-methyl-1,3-butanediol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-8(9(2)12)11(13)10-6-4-3-5-7-10/h3-9,11-13H,1-2H3/t8-,9+,11-/m0/s1
InChIKey QHXAOJQLZHLLON-NGZCFLSTSA-N
Molecular Weight 180.247 g/mol
SMILES O[C@@]([C@]([C@](O)(C)[H])(C)[H])(c1ccccc1)[H]
SPLASH splash10-0a4i-0900000000-83bfa019b2dc03f77526
Source of Spectrum F-70-1288-5
Synonyms (1S,2S,3R)-2-methyl-1-phenyl-1,3-butanediol (1S,2S,3R)-2-methyl-1-phenylbutane-1,3-diol
Wiley ID 1596192