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N,N-1,4-Bis(3-cyano-2-ethoxy-5-(2,2-dicyanovinyl)-4-phenylpyridin-6-yl)piperazine
SpectraBase Compound ID 2XmRMFir1gj
InChI InChI=1S/C40H30N10O2/c1-3-51-39-33(25-45)35(29-11-7-5-8-12-29)31(19-27(21-41)22-42)37(47-39)49-15-17-50(18-16-49)38-32(20-28(23-43)24-44)36(30-13-9-6-10-14-30)34(26-46)40(48-38)52-4-2/h5-14,19-20H,3-4,15-18H2,1-2H3
InChIKey STJSIGWPROOGEU-UHFFFAOYSA-N
Mol Weight 682.7 g/mol
Molecular Formula C40H30N10O2
Exact Mass 682.25532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jkfo0NeIDlR
Name N,N-1,4-Bis(3-cyano-2-ethoxy-5-(2,2-dicyanovinyl)-4-phenylpyridin-6-yl)piperazine
Alternate Name(s) 2-[(5-cyano-2-{4-[5-cyano-3-(2,2-dicyanovinyl)-6-ethoxy-4-phenyl-2-pyridinyl]-1-piperazinyl}-6-ethoxy-4-phenyl-3-pyridinyl)methylene]malononitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H30N10O2
InChI InChI=1S/C40H30N10O2/c1-3-51-39-33(25-45)35(29-11-7-5-8-12-29)31(19-27(21-41)22-42)37(47-39)49-15-17-50(18-16-49)38-32(20-28(23-43)24-44)36(30-13-9-6-10-14-30)34(26-46)40(48-38)52-4-2/h5-14,19-20H,3-4,15-18H2,1-2H3
InChIKey STJSIGWPROOGEU-UHFFFAOYSA-N
Molecular Weight 682.748 g/mol
SMILES c1(nc(OCC)c(c(c1C=C(C#N)C#N)-c1ccccc1)C#N)N1CCN(c2nc(OCC)c(c(c2C=C(C#N)C#N)-c2ccccc2)C#N)CC1
SPLASH splash10-014i-0025029000-9a3835e71ed8cb55a68e
Source of Spectrum H1-36-1348-6
Wiley ID 755322