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Diethyl 4'-cyano-[1,1':2',1''-terphenyl]-4,4''-dicarboxylate
SpectraBase Compound ID J3VoGk2e3u1
InChI InChI=1S/C25H21NO4/c1-3-29-24(27)20-10-6-18(7-11-20)22-14-5-17(16-26)15-23(22)19-8-12-21(13-9-19)25(28)30-4-2/h5-15H,3-4H2,1-2H3
InChIKey RBMQGSLYXFCPAJ-UHFFFAOYSA-N
Mol Weight 399.45 g/mol
Molecular Formula C25H21NO4
Exact Mass 399.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Brl0RGg6Wwf
Name Diethyl 4'-cyano-[1,1':2',1''-terphenyl]-4,4''-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21NO4
InChI InChI=1S/C25H21NO4/c1-3-29-24(27)20-10-6-18(7-11-20)22-14-5-17(16-26)15-23(22)19-8-12-21(13-9-19)25(28)30-4-2/h5-15H,3-4H2,1-2H3
InChIKey RBMQGSLYXFCPAJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201205169
Molecular Weight 399.446 g/mol
SMILES c1(cc(c(-c2ccc(cc2)C(=O)OCC)cc1)-c1ccc(C(OCC)=O)cc1)C#N
SPLASH splash10-0udj-3139100000-46949011e54d86750b1d
Source of Spectrum ACI-51-SM21-7p
Wiley ID 1780717