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1-(m-Chlorophenyl)-2-phenylacetylene
SpectraBase Compound ID 3tT2a4CwYIf
InChI InChI=1S/C14H9Cl/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H
InChIKey CJJTXRHGEOOABC-UHFFFAOYSA-N
Mol Weight 212.68 g/mol
Molecular Formula C14H9Cl
Exact Mass 212.039278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LW5Xbf16WeS
Name 1-chloro-3-(phenylethynyl)benzene
Appearance Oil liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.039277990 u
Formula C14H9Cl
InChI InChI=1S/C14H9Cl/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H
InChIKey CJJTXRHGEOOABC-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7000D
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200009
Molecular Weight 212.679 g/mol
Quality 361
SMILES C1=CC(C#CC=2C=CC=C(C2)Cl)=CC=C1
SPLASH splash10-03di-0490000000-3f60e1ea5dd854da0e1f
Source of Spectrum K1-2022-SM50-Table 3, entry 15 (DOI: 10.1002/ejoc.202200009)
Wiley ID 1898462