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4-Phenyl-3-(thiophen-3-ylethynyl)quinoline
SpectraBase Compound ID FOf8LOiEGPn
InChI InChI=1S/C21H13NS/c1-2-6-17(7-3-1)21-18(11-10-16-12-13-23-15-16)14-22-20-9-5-4-8-19(20)21/h1-9,12-15H
InChIKey SRDMLLSIFRHJGZ-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C21H13NS
Exact Mass 311.076871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51PD9WESbJa
Name 4-Phenyl-3-(thiophen-3-ylethynyl)quinoline
Appearance Yellow solid
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.076870597 u
Formula C21H13NS
InChI InChI=1S/C21H13NS/c1-2-6-17(7-3-1)21-18(11-10-16-12-13-23-15-16)14-22-20-9-5-4-8-19(20)21/h1-9,12-15H
InChIKey SRDMLLSIFRHJGZ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900913
Molecular Weight 311.402 g/mol
Quality 238
Reported Formula C21H13NS
SMILES C1(=CC=CC=C1)C1=C(C=NC2=C1C=CC=C2)C#CC1=CSC=C1
SPLASH splash10-03di-1019000000-bfc58320ccf00aa1d3b5
Source of Spectrum K1-2019-6195-13e (DOI: 10.1002/ejoc.201900913)
Wiley ID 1892160