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3-(Thiophen-2-yl)-3'-(trifluoromethyl)-[1,1'-biphenyl]-2-carbonitrile
SpectraBase Compound ID 3KcEW2bShXk
InChI InChI=1S/C18H10F3NS/c19-18(20,21)13-5-1-4-12(10-13)14-6-2-7-15(16(14)11-22)17-8-3-9-23-17/h1-10H
InChIKey WJRGDANYQFVDFN-UHFFFAOYSA-N
Mol Weight 329.34 g/mol
Molecular Formula C18H10F3NS
Exact Mass 329.048605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1j26981WbDR
Name 3-(Thiophen-2-yl)-3'-(trifluoromethyl)-[1,1'-biphenyl]-2-carbonitrile
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H10F3NS
InChI InChI=1S/C18H10F3NS/c19-18(20,21)13-5-1-4-12(10-13)14-6-2-7-15(16(14)11-22)17-8-3-9-23-17/h1-10H
InChIKey WJRGDANYQFVDFN-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q or HEWLETT-PACKARD HP 6890-MSD 5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.202103700
Molecular Weight 329.340 g/mol
Reported Formula C18H10F3NS
SMILES C1(=C(C(=CC=C1)C1=CC=CC(=C1)C(F)(F)F)C#N)C=1SC=CC1
SPLASH splash10-01t9-0049000000-8461484150f64d379b39
Source of Spectrum QE-28-SM74-5c (DOI: 10.1002/chem.202103700)
Wiley ID 1898248