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3-[(4-Chlorophenyl)thio]-2-(4-ethylphenyl)-4H-thiochromen-4-one
SpectraBase Compound ID FslP9CsYaVm
InChI InChI=1S/C23H17ClOS2/c1-2-15-7-9-16(10-8-15)22-23(26-18-13-11-17(24)12-14-18)21(25)19-5-3-4-6-20(19)27-22/h3-14H,2H2,1H3
InChIKey BRWMABFPHIHQQC-UHFFFAOYSA-N
Mol Weight 408.96 g/mol
Molecular Formula C23H17ClOS2
Exact Mass 408.040935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CW1yoymzM1d
Name 3-[(4-Chlorophenyl)thio]-2-(4-ethylphenyl)-4H-thiochromen-4-one
Appearance Yellow solid
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Exact Mass 408.040935214 u
Formula C23H17ClOS2
InChI InChI=1S/C23H17ClOS2/c1-2-15-7-9-16(10-8-15)22-23(26-18-13-11-17(24)12-14-18)21(25)19-5-3-4-6-20(19)27-22/h3-14H,2H2,1H3
InChIKey BRWMABFPHIHQQC-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202201557
Molecular Weight 408.961 g/mol
Reported Formula C23H17ClOS2
SMILES C1=CC2=C(C=C1)SC(=C(C2=O)SC1=CC=C(C=C1)Cl)C1=CC=C(C=C1)CC
SPLASH splash10-0059-0009000000-29c68b6481844536a24b
Source of Spectrum CCC-15-8-3o (DOI: 10.1002/cctc.202201557)
Wiley ID 1910124