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3-[(3-Chlorophenyl)thio]-2-phenyl-4H-thiochromen-4-one
SpectraBase Compound ID HvZ5BSmq0ih
InChI InChI=1S/C21H13ClOS2/c22-15-9-6-10-16(13-15)24-21-19(23)17-11-4-5-12-18(17)25-20(21)14-7-2-1-3-8-14/h1-13H
InChIKey LLECQXJDYCRVME-UHFFFAOYSA-N
Mol Weight 380.91 g/mol
Molecular Formula C21H13ClOS2
Exact Mass 380.009635 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7fOL97pKYpn
Name 3-[(3-Chlorophenyl)thio]-2-phenyl-4H-thiochromen-4-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.009635086 u
Formula C21H13ClOS2
InChI InChI=1S/C21H13ClOS2/c22-15-9-6-10-16(13-15)24-21-19(23)17-11-4-5-12-18(17)25-20(21)14-7-2-1-3-8-14/h1-13H
InChIKey LLECQXJDYCRVME-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202201557
Molecular Weight 380.907 g/mol
Reported Formula C21H13ClOS2
SMILES C1=CC2=C(C=C1)SC(=C(C2=O)SC1=CC=CC(=C1)Cl)C1=CC=CC=C1
SPLASH splash10-0059-0009000000-29c68b6481844536a24b
Source of Spectrum CCC-15-7-3i (DOI: 10.1002/cctc.202201557)
Wiley ID 1910119