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3-(4-Fluorophenyl)-2-(4-nitrophenyl)-6,7-dihydro-1-benzothiophen-4(5H)-one
SpectraBase Compound ID 2l0ErJREKj6
InChI InChI=1S/C20H14FNO3S/c21-14-8-4-12(5-9-14)18-19-16(23)2-1-3-17(19)26-20(18)13-6-10-15(11-7-13)22(24)25/h4-11H,1-3H2
InChIKey MZVVWBBYMZEBSN-UHFFFAOYSA-N
Mol Weight 367.39 g/mol
Molecular Formula C20H14FNO3S
Exact Mass 367.067843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13Z0w2Lmhr9
Name 3-(4-Fluorophenyl)-2-(4-nitrophenyl)-6,7-dihydro-1-benzothiophen-4(5H)-one
Appearance Pale-brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.067842649 u
Formula C20H14FNO3S
InChI InChI=1S/C20H14FNO3S/c21-14-8-4-12(5-9-14)18-19-16(23)2-1-3-17(19)26-20(18)13-6-10-15(11-7-13)22(24)25/h4-11H,1-3H2
InChIKey MZVVWBBYMZEBSN-UHFFFAOYSA-N
Instrument Name Agilent HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800361
Molecular Weight 367.394 g/mol
Quality 530
SMILES C1=2SC(=C(C2C(CCC1)=O)C1=CC=C(C=C1)F)C1=CC=C(C=C1)[N+]([O-])=O
SPLASH splash10-02t9-0149000000-b523b19d4113784ee365
Source of Spectrum K1-2018-3013-4ad (DOI: 10.1002/ejoc.201800361)
Wiley ID 1891742