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3-Benzoyl-5-cyano-4-methylthio-6-phenyl-2-pyron
SpectraBase Compound ID XTbyuntWnA
InChI InChI=1S/C20H13NO3S/c1-25-19-15(12-21)18(14-10-6-3-7-11-14)24-20(23)16(19)17(22)13-8-4-2-5-9-13/h2-11H,1H3
InChIKey WRBZWEFKTILTPB-UHFFFAOYSA-N
Mol Weight 347.39 g/mol
Molecular Formula C20H13NO3S
Exact Mass 347.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 940OTovKaep
Name 3-Benzoyl-5-cyano-4-methylthio-6-phenyl-2-pyron
Alternate Name(s) 3-Benzoyl-4-(methylsulfanyl)-2-oxo-6-phenyl-2H-pyran-5-carbonitrile 3-Benzoyl-5-cyano-4-methylthio-6-phenyl-2-pyran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13NO3S
InChI InChI=1S/C20H13NO3S/c1-25-19-15(12-21)18(14-10-6-3-7-11-14)24-20(23)16(19)17(22)13-8-4-2-5-9-13/h2-11H,1H3
InChIKey WRBZWEFKTILTPB-UHFFFAOYSA-N
Molecular Weight 347.388 g/mol
SMILES C1(=C(C(C#N)=C(OC1=O)c1ccccc1)SC)C(=O)c1ccccc1
SPLASH splash10-067v-0369000000-b2283657abe29ea21110
Source of Spectrum SO-0-1023-4
Wiley ID 1537483