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1-(4-Chlorophenylethynyl)-4-(4-n-pentylcyclohexyl)benzene
SpectraBase Compound ID 77bsrakm3An
InChI InChI=1S/C23H25Cl/c1-2-3-18-6-12-21(13-7-18)22-14-8-19(9-15-22)4-5-20-10-16-23(24)17-11-20/h8-11,14-18,21H,2-3,6-7,12-13H2,1H3
InChIKey WTEDZSJCXFPUBJ-UHFFFAOYSA-N
Mol Weight 336.91 g/mol
Molecular Formula C23H25Cl
Exact Mass 336.164479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xxqgvpUqkf
Name 1-(4-Chlorophenylethynyl)-4-(4-n-pentylcyclohexyl)benzene
Alternate Name(s) 1-Chloro-4-((4-(4-propylcyclohexyl)phenyl)ethynyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25Cl
InChI InChI=1S/C23H25Cl/c1-2-3-18-6-12-21(13-7-18)22-14-8-19(9-15-22)4-5-20-10-16-23(24)17-11-20/h8-11,14-18,21H,2-3,6-7,12-13H2,1H3
InChIKey WTEDZSJCXFPUBJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/aoc.1642
Molecular Weight 336.906 g/mol
SMILES C1C(CCC(c2ccc(C#Cc3ccc(cc3)Cl)cc2)C1)CCC
SPLASH splash10-000i-1096000000-00edb7123cd23852b724
Source of Spectrum AOC-24-n/a/SM4-3d
Wiley ID 1768505