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2-((2-Fluorophenyl)ethynyl)thiophene
SpectraBase Compound ID iDVEHJpnQr
InChI InChI=1S/C12H7FS/c13-12-6-2-1-4-10(12)7-8-11-5-3-9-14-11/h1-6,9H
InChIKey FFOZAVMNCKOULC-UHFFFAOYSA-N
Mol Weight 202.25 g/mol
Molecular Formula C12H7FS
Exact Mass 202.02525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zFGh9LEmNX
Name 2-((2-Fluorophenyl)ethynyl)thiophene
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 202.025249562 u
Formula C12H7FS
InChI InChI=1S/C12H7FS/c13-12-6-2-1-4-10(12)7-8-11-5-3-9-14-11/h1-6,9H
InChIKey FFOZAVMNCKOULC-UHFFFAOYSA-N
Instrument Name Joel JMS-700 or Bruker ApexQe hybrid 9.4 FT-ICR
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/anie.201805918
Molecular Weight 202.246 g/mol
Quality 48
Reported Formula C12H7FS
SMILES C1(F)=C(C=CC=C1)C#CC=1SC=CC1
SPLASH splash10-0udi-0290000000-499fbd81fc62d305100e
Source of Spectrum ACI-57-SM15-1n (DOI: 10.1002/anie.201805918)
Thin-Layer Chromatography 0.23 (PE)
Wiley ID 1893456