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2-[[2-[(4-Chlorophenyl)ethynyl]benzyl]oxy]benzonitrile
SpectraBase Compound ID 8uEHn3v1s1I
InChI InChI=1S/C22H14ClNO/c23-21-13-10-17(11-14-21)9-12-18-5-1-2-7-20(18)16-25-22-8-4-3-6-19(22)15-24/h1-8,10-11,13-14H,16H2
InChIKey BNMMPCXBLDVOHL-UHFFFAOYSA-N
Mol Weight 343.81 g/mol
Molecular Formula C22H14ClNO
Exact Mass 343.076392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPArndjg0Pa
Name 2-[[2-[(4-Chlorophenyl)ethynyl]benzyl]oxy]benzonitrile
Alternate Name(s) 2-((2-((4-chlorophenyl)ethynyl)benzyl)oxy)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H14ClNO
InChI InChI=1S/C22H14ClNO/c23-21-13-10-17(11-14-21)9-12-18-5-1-2-7-20(18)16-25-22-8-4-3-6-19(22)15-24/h1-8,10-11,13-14H,16H2
InChIKey BNMMPCXBLDVOHL-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.joc.5b01884
Molecular Weight 343.813 g/mol
SMILES C(c1c(cccc1)OCc1c(cccc1)C#Cc1ccc(cc1)Cl)#N
SPLASH splash10-004r-0982000000-894897a1b14a17be1582
Source of Spectrum J-80-10284-1h
Wiley ID 1801684