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(S)-4-phenylbutane-1,2-diol
SpectraBase Compound ID Actk6JoD0v3
InChI InChI=1S/C10H14O2/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-/m0/s1
InChIKey NYHOBXZEBFBAHD-JTQLQIEISA-N
Mol Weight 166.22 g/mol
Molecular Formula C10H14O2
Exact Mass 166.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RVEsOTKR7z
Name (S)-4-phenylbutane-1,2-diol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 166.099379689 u
Formula C10H14O2
InChI InChI=1S/C10H14O2/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-/m0/s1
InChIKey NYHOBXZEBFBAHD-JTQLQIEISA-N
Instrument Name Finnigan MAT95Q or Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202203807
Molecular Weight 166.220 g/mol
Quality 86
Reported Formula C10H14O2
SMILES OC[C@](CCC1=CC=CC=C1)(O)[H]
SPLASH splash10-00kf-9700000000-19820cd41e3dcfd7b665
Source of Spectrum ACI-61-SM48-11u (DOI: 10.1002/anie.202203807)
Wiley ID 1897814