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2-[[2-[(4-Chlorophenyl)ethynyl]benzyl]oxy]-5-methylbenzonitrile
SpectraBase Compound ID GbVoTS26a47
InChI InChI=1S/C23H16ClNO/c1-17-6-13-23(21(14-17)15-25)26-16-20-5-3-2-4-19(20)10-7-18-8-11-22(24)12-9-18/h2-6,8-9,11-14H,16H2,1H3
InChIKey URDVMILHUBJHAA-UHFFFAOYSA-N
Mol Weight 357.84 g/mol
Molecular Formula C23H16ClNO
Exact Mass 357.092042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdQgxOzIY6T
Name 2-[[2-[(4-Chlorophenyl)ethynyl]benzyl]oxy]-5-methylbenzonitrile
Alternate Name(s) 2-((2-((4-chlorophenyl)ethynyl)benzyl)oxy)-5-methylbenzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H16ClNO
InChI InChI=1S/C23H16ClNO/c1-17-6-13-23(21(14-17)15-25)26-16-20-5-3-2-4-19(20)10-7-18-8-11-22(24)12-9-18/h2-6,8-9,11-14H,16H2,1H3
InChIKey URDVMILHUBJHAA-UHFFFAOYSA-N
Molecular Weight 357.840 g/mol
SMILES C(c1c(ccc(c1)C)OCc1c(cccc1)C#Cc1ccc(cc1)Cl)#N
SPLASH splash10-004r-0893000000-8491f1abe68bf7482721
Source of Spectrum J-80-10284-1p
Wiley ID 1801692