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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4HiFHI6kWeq
Name 1,4-BIS-(2-AMINO-3-CYANO-6-METHYL-5-(PHENYLTHIO)-4H-PYRAN-4-YL)-BENZENE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author K.BOGDANOWICZ-SZWED,A.BUDZOWSKI
Literature Reference Citation MH.CHEM.,130,545(1999)
Literature Reference DOI 10.1007/s007060050212
Molecular Weight 562.704 g/mol
Solvent DMSO-D6
Source File Reference UWMP706