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2-Phenyl-3-(4-tolylthio)-4H-thiochromen-4-one
SpectraBase Compound ID 1cVxqKn0tw
InChI InChI=1S/C22H16OS2/c1-15-11-13-17(14-12-15)24-22-20(23)18-9-5-6-10-19(18)25-21(22)16-7-3-2-4-8-16/h2-14H,1H3
InChIKey SRPQBEMDUKNPEE-UHFFFAOYSA-N
Mol Weight 360.49 g/mol
Molecular Formula C22H16OS2
Exact Mass 360.064257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7fFmBCEQS0P
Name 2-Phenyl-3-(4-tolylthio)-4H-thiochromen-4-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.064257482 u
Formula C22H16OS2
InChI InChI=1S/C22H16OS2/c1-15-11-13-17(14-12-15)24-22-20(23)18-9-5-6-10-19(18)25-21(22)16-7-3-2-4-8-16/h2-14H,1H3
InChIKey SRPQBEMDUKNPEE-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202201557
Molecular Weight 360.489 g/mol
SMILES C1=CC2=C(C=C1)SC(=C(C2=O)SC1=CC=C(C=C1)C)C1=CC=CC=C1
SPLASH splash10-03di-0009000000-43c30999d3b3d959ff86
Source of Spectrum CCC-15-7-3b (DOI: 10.1002/cctc.202201557)
Wiley ID 1910112