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4-Acetyl-4'-chloro-3-methyl-5-(phenylethynyl)-[1,1'-biphenyl]-2-carbonitrile
SpectraBase Compound ID CppG96NTu1h
InChI InChI=1S/C24H16ClNO/c1-16-23(15-26)22(19-10-12-21(25)13-11-19)14-20(24(16)17(2)27)9-8-18-6-4-3-5-7-18/h3-7,10-14H,1-2H3
InChIKey SKLOAIAJGLSINA-UHFFFAOYSA-N
Mol Weight 369.85 g/mol
Molecular Formula C24H16ClNO
Exact Mass 369.092042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9PbS67wdsbV
Name 4-Acetyl-4'-chloro-3-methyl-5-(phenylethynyl)-[1,1'-biphenyl]-2-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H16ClNO
InChI InChI=1S/C24H16ClNO/c1-16-23(15-26)22(19-10-12-21(25)13-11-19)14-20(24(16)17(2)27)9-8-18-6-4-3-5-7-18/h3-7,10-14H,1-2H3
InChIKey SKLOAIAJGLSINA-UHFFFAOYSA-N
Molecular Weight 369.851 g/mol
SMILES c1(c(c(cc(c1C#N)-c1ccc(cc1)Cl)C#Cc1ccccc1)C(C)=O)C
SPLASH splash10-0gi0-0009000000-d0bacaf9a87d17c7049a
Source of Spectrum ASC-360-SM48-3jf
Wiley ID 1811742