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2-(4-Chlorophenyl)-3-(4-tolylthio)-4H-thiochromen-4-one
SpectraBase Compound ID B7svW2Rrnj1
InChI InChI=1S/C22H15ClOS2/c1-14-6-12-17(13-7-14)25-22-20(24)18-4-2-3-5-19(18)26-21(22)15-8-10-16(23)11-9-15/h2-13H,1H3
InChIKey UWRSCJLHQUQLMB-UHFFFAOYSA-N
Mol Weight 394.93 g/mol
Molecular Formula C22H15ClOS2
Exact Mass 394.025285 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5JkrZx4PR4O
Name 2-(4-Chlorophenyl)-3-(4-tolylthio)-4H-thiochromen-4-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15ClOS2
InChI InChI=1S/C22H15ClOS2/c1-14-6-12-17(13-7-14)25-22-20(24)18-4-2-3-5-19(18)26-21(22)15-8-10-16(23)11-9-15/h2-13H,1H3
InChIKey UWRSCJLHQUQLMB-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202201557
Molecular Weight 394.934 g/mol
Quality 18
Reported Formula C22H15ClOS2
SMILES C1=CC2=C(C=C1)SC(=C(C2=O)SC1=CC=C(C=C1)C)C1=CC=C(C=C1)Cl
SPLASH splash10-0007-0009000000-c459b12163495a34ced1
Source of Spectrum CCC-15-8-3q (DOI: 10.1002/cctc.202201557)
Wiley ID 1910126