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2-[(2,6-dichlorophenyl)-hydroxy-methyl]-3-phenyl-prop-2-enenitrile
SpectraBase Compound ID 9xbSQ3vjSs4
InChI InChI=1S/C16H11Cl2NO/c17-13-7-4-8-14(18)15(13)16(20)12(10-19)9-11-5-2-1-3-6-11/h1-9,16,20H
InChIKey VSDLKOVYQTWBOL-UHFFFAOYSA-N
Mol Weight 304.18 g/mol
Molecular Formula C16H11Cl2NO
Exact Mass 303.021769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HUwfJuTrzq
Name 2-[(2,6-dichlorophenyl)-hydroxy-methyl]-3-phenyl-prop-2-enenitrile
Appearance Colorless solid
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Formula C16H11Cl2NO
InChI InChI=1S/C16H11Cl2NO/c17-13-7-4-8-14(18)15(13)16(20)12(10-19)9-11-5-2-1-3-6-11/h1-9,16,20H
InChIKey VSDLKOVYQTWBOL-UHFFFAOYSA-N
Instrument Name Finnigan MAT95Q/Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202012085
Molecular Weight 304.176 g/mol
Reported Formula C16H11Cl2NO
SMILES OC(c1c(cccc1Cl)Cl)C(C#N)=Cc1ccccc1
SPLASH splash10-05di-0790000000-e9aa068486fc502c78aa
Sample Comments Z/E = 89:11
Source of Spectrum ACI-60-SM12-4ac
Wiley ID 1880392