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3,5-Dicyano-2,6-bis[(4'-cyanophenyl]-4,4-diphenyl-4H-thiopyran
SpectraBase Compound ID EB6JMmF8Dcj
InChI InChI=1S/C33H18N4S/c34-19-23-11-15-25(16-12-23)31-29(21-36)33(27-7-3-1-4-8-27,28-9-5-2-6-10-28)30(22-37)32(38-31)26-17-13-24(20-35)14-18-26/h1-18H
InChIKey VNAWECCYXZTFGK-UHFFFAOYSA-N
Mol Weight 502.6 g/mol
Molecular Formula C33H18N4S
Exact Mass 502.125218 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lg1Gw6JFGdt
Name 3,5-Dicyano-2,6-bis[(4'-cyanophenyl]-4,4-diphenyl-4H-thiopyran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H18N4S
InChI InChI=1S/C33H18N4S/c34-19-23-11-15-25(16-12-23)31-29(21-36)33(27-7-3-1-4-8-27,28-9-5-2-6-10-28)30(22-37)32(38-31)26-17-13-24(20-35)14-18-26/h1-18H
InChIKey VNAWECCYXZTFGK-UHFFFAOYSA-N
Molecular Weight 502.595 g/mol
SMILES C=1(C(C(=C(c2ccc(C#N)cc2)SC1c1ccc(C#N)cc1)C#N)(c1ccccc1)c1ccccc1)C#N
SPLASH splash10-0v00-0800790000-9f9594af4bbabb4a75c1
Source of Spectrum G-63-672-10
Wiley ID 749398