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2,2-Dichloro-1-(p-tolyl)butane-1,4-diol
SpectraBase Compound ID CclmbV87uPv
InChI InChI=1S/C11H14Cl2O2/c1-8-2-4-9(5-3-8)10(15)11(12,13)6-7-14/h2-5,10,14-15H,6-7H2,1H3
InChIKey XYNSMUWYRZLBLK-UHFFFAOYSA-N
Mol Weight 249.14 g/mol
Molecular Formula C11H14Cl2O2
Exact Mass 248.037085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJmvHrOVQqD
Name 2,2-Dichloro-1-(p-tolyl)butane-1,4-diol
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.037085089 u
Formula C11H14Cl2O2
InChI InChI=1S/C11H14Cl2O2/c1-8-2-4-9(5-3-8)10(15)11(12,13)6-7-14/h2-5,10,14-15H,6-7H2,1H3
InChIKey XYNSMUWYRZLBLK-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800668
Molecular Weight 249.137 g/mol
Quality 94
Reported Formula C11H14Cl2O2
SMILES OC(C(CCO)(Cl)Cl)C1=CC=C(C=C1)C
SPLASH splash10-00di-0910000000-30857a35f74a875772a5
Source of Spectrum K1-2018-4024-15 (DOI: 10.1002/ejoc.201800668)
Wiley ID 1894174