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1,4-BIS-(2-AMINO-3-CYANO-6-METHYL-5-(PHENYLTHIO)-4H-PYRAN-4-YL)-BENZENE
SpectraBase Compound ID 8wOnmKkKCIr
InChI InChI=1S/C32H26N4O2S2/c1-19-29(39-23-9-5-3-6-10-23)27(25(17-33)31(35)37-19)21-13-15-22(16-14-21)28-26(18-34)32(36)38-20(2)30(28)40-24-11-7-4-8-12-24/h3-16,27-28H,35-36H2,1-2H3
InChIKey ZXABZNIIPVCPET-UHFFFAOYSA-N
Mol Weight 562.7 g/mol
Molecular Formula C32H26N4O2S2
Exact Mass 562.149718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9K7ASwATbXz
Name 1,4-bis[2'-Amino-3'-cyano-6'-methyl-5-(phenylthio0-4H-pyran-4'-yl]benzene
Alternate Name(s) 1,4-bis[2'-Amino-3'-cyano-6'-methyl-5-(phenylthio-4H-pyran-4'-yl]benzene 2-Amino-4-[4-(2-amino-3-cyano-6-methyl-5-phenylsulfanyl-4H-pyran-4-yl)phenyl]-6-methyl-5-phenylsulfanyl-4H-pyran-3-carbonitrile 2-Azanyl-4-[4-(2-azanyl-3-cyano-6-methyl-5-phenylsulfanyl-4H-pyran-4-yl)phenyl]-6-methyl-5-phenylsulfanyl-4H-pyran-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H26N4O2S2
InChI InChI=1S/C32H26N4O2S2/c1-19-29(39-23-9-5-3-6-10-23)27(25(17-33)31(35)37-19)21-13-15-22(16-14-21)28-26(18-34)32(36)38-20(2)30(28)40-24-11-7-4-8-12-24/h3-16,27-28H,35-36H2,1-2H3
InChIKey ZXABZNIIPVCPET-UHFFFAOYSA-N
Molecular Weight 562.706 g/mol
SMILES NC1=C(C(c2ccc(C3C(=C(OC(=C3Sc3ccccc3)C)N)C#N)cc2)C(=C(O1)C)Sc1ccccc1)C#N
SPLASH splash10-00kf-6892200000-942c3c468c1eac7f2201
Source of Spectrum AH-130-552-6
Wiley ID 770636