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2-(4-Chlorophenyl)-3-[(4-chlorophenyl)thio]-4H-thiochromen-4-one
SpectraBase Compound ID 91EGHoWGboo
InChI InChI=1S/C21H12Cl2OS2/c22-14-7-5-13(6-8-14)20-21(25-16-11-9-15(23)10-12-16)19(24)17-3-1-2-4-18(17)26-20/h1-12H
InChIKey PGRYPHUWSIFRIV-UHFFFAOYSA-N
Mol Weight 415.35 g/mol
Molecular Formula C21H12Cl2OS2
Exact Mass 413.970663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LjFhUkBhHcA
Name 2-(4-Chlorophenyl)-3-[(4-chlorophenyl)thio]-4H-thiochromen-4-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.970662753 u
Formula C21H12Cl2OS2
InChI InChI=1S/C21H12Cl2OS2/c22-14-7-5-13(6-8-14)20-21(25-16-11-9-15(23)10-12-16)19(24)17-3-1-2-4-18(17)26-20/h1-12H
InChIKey PGRYPHUWSIFRIV-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202201557
Molecular Weight 415.352 g/mol
Reported Formula C21H12Cl2OS2
SMILES C1=CC2=C(C=C1)SC(=C(C2=O)SC1=CC=C(C=C1)Cl)C1=CC=C(C=C1)Cl
SPLASH splash10-02t9-0001900000-4fb598944e23de5bcfa0
Source of Spectrum CCC-15-8-3r (DOI: 10.1002/cctc.202201557)
Wiley ID 1910127