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1-(o-Chlorophenyl)-2-phenylacetylene
SpectraBase Compound ID 9LFrORYX3sG
InChI InChI=1S/C14H9Cl/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H
InChIKey IUGPZGPRLHJZAW-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 8ak2Fq67eXS
Name 1-chloro-2-(phenylethynyl)benzene
Appearance Dark brown oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.039277990 u
Formula C14H9Cl
InChI InChI=1S/C14H9Cl/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H
InChIKey IUGPZGPRLHJZAW-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7000D
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200009
Molecular Weight 212.679 g/mol
Quality 388
SMILES C1=C(C(C#CC=2C=CC=CC2)=CC=C1)Cl
SPLASH splash10-03di-0490000000-0855b32d98201040a5b5
Source of Spectrum K1-2022-SM56-Table 3, entry 19 (DOI: 10.1002/ejoc.202200009)
Wiley ID 1898466