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3-[(4-Fluorophenyl)thio]-2-phenyl-4H-thiochromen-4-one
SpectraBase Compound ID E4jXtoDhpMq
InChI InChI=1S/C21H13FOS2/c22-15-10-12-16(13-11-15)24-21-19(23)17-8-4-5-9-18(17)25-20(21)14-6-2-1-3-7-14/h1-13H
InChIKey LAHKMGLHLWIMCA-UHFFFAOYSA-N
Mol Weight 364.45 g/mol
Molecular Formula C21H13FOS2
Exact Mass 364.039186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzSEXzu7hh2
Name 3-[(4-Fluorophenyl)thio]-2-phenyl-4H-thiochromen-4-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.039185549 u
Formula C21H13FOS2
InChI InChI=1S/C21H13FOS2/c22-15-10-12-16(13-11-15)24-21-19(23)17-8-4-5-9-18(17)25-20(21)14-6-2-1-3-7-14/h1-13H
InChIKey LAHKMGLHLWIMCA-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202201557
Molecular Weight 364.452 g/mol
Quality 15
Reported Formula C21H13FOS2
SMILES C1=CC2=C(C=C1)SC(=C(C2=O)SC1=CC=C(C=C1)F)C1=CC=CC=C1
SPLASH splash10-03xr-0009000000-0153c0d3f029bff3a9cc
Source of Spectrum CCC-15-7-3e (DOI: 10.1002/cctc.202201557)
Wiley ID 1910115