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2-Phenyl-3-(phenylthio)-4H-thiochromen-4-one
SpectraBase Compound ID G6dYsnZFlc9
InChI InChI=1S/C21H14OS2/c22-19-17-13-7-8-14-18(17)24-20(15-9-3-1-4-10-15)21(19)23-16-11-5-2-6-12-16/h1-14H
InChIKey URWPNAXMIQUYIE-UHFFFAOYSA-N
Mol Weight 346.46 g/mol
Molecular Formula C21H14OS2
Exact Mass 346.048607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LtJTf6RYGny
Name 2-Phenyl-3-(phenylthio)-4H-thiochromen-4-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.048607418 u
Formula C21H14OS2
InChI InChI=1S/C21H14OS2/c22-19-17-13-7-8-14-18(17)24-20(15-9-3-1-4-10-15)21(19)23-16-11-5-2-6-12-16/h1-14H
InChIKey URWPNAXMIQUYIE-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202201557
Molecular Weight 346.462 g/mol
SMILES C1=CC2=C(C=C1)SC(=C(C2=O)SC1=CC=CC=C1)C1=CC=CC=C1
SPLASH splash10-0002-0009000000-001b8dccca982d061c22
Source of Spectrum CCC-15-7-3a (DOI: 10.1002/cctc.202201557)
Wiley ID 1910111