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1-Phenylhexane-3,4-diol
SpectraBase Compound ID 2OilD2FJ3sZ
InChI InChI=1S/C12H18O2/c1-2-11(13)12(14)9-8-10-6-4-3-5-7-10/h3-7,11-14H,2,8-9H2,1H3/t11-,12-/m1/s1
InChIKey JRJFROPHIXQTEY-VXGBXAGGSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BM9WPobIDGf
Name 1-Phenylhexane-3,4-diol
Alternate Name(s) (3R,4R)-1-phenylhexane-3,4-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-2-11(13)12(14)9-8-10-6-4-3-5-7-10/h3-7,11-14H,2,8-9H2,1H3/t11-,12-/m1/s1
InChIKey JRJFROPHIXQTEY-VXGBXAGGSA-N
Literature Reference DOI 10.1021/ol802651b
Molecular Weight 194.274 g/mol
SMILES O[C@@]([C@@](CC)(O)[H])(CCc1ccccc1)[H]
SPLASH splash10-052f-9400000000-6d65a249940fde87b24e
Source of Spectrum A1-11-165/SMS7-3j
Wiley ID 1756523