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2-(4-Ethylphenyl)-3-(phenylthio)-4H-thiochromen-4-one
SpectraBase Compound ID 7FQnogjzTSi
InChI InChI=1S/C23H18OS2/c1-2-16-12-14-17(15-13-16)22-23(25-18-8-4-3-5-9-18)21(24)19-10-6-7-11-20(19)26-22/h3-15H,2H2,1H3
InChIKey AQOXXVAHJRPGCQ-UHFFFAOYSA-N
Mol Weight 374.52 g/mol
Molecular Formula C23H18OS2
Exact Mass 374.079908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XOgicDag02
Name 2-(4-Ethylphenyl)-3-(phenylthio)-4H-thiochromen-4-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.079907547 u
Formula C23H18OS2
InChI InChI=1S/C23H18OS2/c1-2-16-12-14-17(15-13-16)22-23(25-18-8-4-3-5-9-18)21(24)19-10-6-7-11-20(19)26-22/h3-15H,2H2,1H3
InChIKey AQOXXVAHJRPGCQ-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202201557
Molecular Weight 374.516 g/mol
SMILES C1=CC2=C(C=C1)SC(=C(C2=O)SC1=CC=CC=C1)C1=CC=C(C=C1)CC
SPLASH splash10-0002-0009000000-f93fcd9fc679b2305a86
Source of Spectrum CCC-15-8-3m (DOI: 10.1002/cctc.202201557)
Wiley ID 1910122