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(Z/E)-2-chloro-1-fluoro-4-(pent-3-en-1-yn-1-yl)benzene
SpectraBase Compound ID GOwcSEBibhw
InChI InChI=1S/C11H8ClF/c1-2-3-4-5-9-6-7-11(13)10(12)8-9/h2-3,6-8H,1H3
InChIKey BARRCUNOZWJSOB-UHFFFAOYSA-N
Mol Weight 194.64 g/mol
Molecular Formula C11H8ClF
Exact Mass 194.029856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0v9KdqmffE
Name (Z/E)-2-chloro-1-fluoro-4-(pent-3-en-1-yn-1-yl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.029856121 u
Formula C11H8ClF
InChI InChI=1S/C11H8ClF/c1-2-3-4-5-9-6-7-11(13)10(12)8-9/h2-3,6-8H,1H3
InChIKey BARRCUNOZWJSOB-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.202202421
Molecular Weight 194.636 g/mol
Quality 112
SMILES C1(Cl)=C(C=CC(=C1)C#CC=CC)F
SPLASH splash10-0a4l-0900000000-7578dfd618c3fe2f43cd
Sample Comments Cis/Trans = 62:38
Source of Spectrum QE-28-SM30-3u (DOI: 10.1002/chem.202202421)
Wiley ID 1900777