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3-[(4-Chlorophenyl)thio]-2-phenyl-4H-thiochromen-4-one
SpectraBase Compound ID cHnzVadFrb
InChI InChI=1S/C21H13ClOS2/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 BRTVKIPBOQAGSN-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 Ijalq6BDLjB
Name 3-[(4-Chlorophenyl)thio]-2-phenyl-4H-thiochromen-4-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.009635086 u
Formula C21H13ClOS2
InChI InChI=1S/C21H13ClOS2/c22-15-10-12-16(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 BRTVKIPBOQAGSN-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=C(C=C1)Cl)C1=CC=CC=C1
SPLASH splash10-001i-0009000000-8269bd1620d4da08852a
Source of Spectrum CCC-15-7-3g (DOI: 10.1002/cctc.202201557)
Wiley ID 1910117