For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1S,2R,3S)-2-methyl-1-phenyl-butane-1,3-diol
SpectraBase Compound ID JfLoP9Si6lG
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+/m1/s1
InChIKey QHXAOJQLZHLLON-YWVKMMECSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8k7h9I505Yo
Name (1S,2R,3S)-2-methyl-1-phenyl-butane-1,3-diol
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+/m1/s1
InChIKey QHXAOJQLZHLLON-YWVKMMECSA-N
Molecular Weight 180.247 g/mol
SMILES O[C@@]([C@@]([C@@](O)(C)[H])(C)[H])(c1ccccc1)[H]
SPLASH splash10-0a4i-0900000000-a5a7adb423026815e7aa
Source of Spectrum F-70-1288-5
Wiley ID 1596194