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3-(Benzo[d]oxazol-2-ylthio)-2-phenyl-4H-thiochromen-4-one
SpectraBase Compound ID 9lWNfR2Z0sG
InChI InChI=1S/C22H13NO2S2/c24-19-15-10-4-7-13-18(15)26-20(14-8-2-1-3-9-14)21(19)27-22-23-16-11-5-6-12-17(16)25-22/h1-13H
InChIKey IIDNBFMKPQUQDJ-UHFFFAOYSA-N
Mol Weight 387.47 g/mol
Molecular Formula C22H13NO2S2
Exact Mass 387.038771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lfn4nhY66ni
Name 3-(Benzo[d]oxazol-2-ylthio)-2-phenyl-4H-thiochromen-4-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.038771009 u
Formula C22H13NO2S2
InChI InChI=1S/C22H13NO2S2/c24-19-15-10-4-7-13-18(15)26-20(14-8-2-1-3-9-14)21(19)27-22-23-16-11-5-6-12-17(16)25-22/h1-13H
InChIKey IIDNBFMKPQUQDJ-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202201557
Molecular Weight 387.471 g/mol
Reported Formula C22H13NO2S2
SMILES C1=CC2=C(C=C1)SC(=C(C2=O)SC1=NC2=C(O1)C=CC=C2)C1=CC=CC=C1
SPLASH splash10-000i-0009000000-1043f84cd5ce8088c2f7
Source of Spectrum CCC-15-7-3k (DOI: 10.1002/cctc.202201557)
Wiley ID 1910121