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Ethyl 2-[(3-Amino-2,5-dicyano-4'-methyl[1,1'-biphenyl]-4-yl)carbonyl]benzoate
SpectraBase Compound ID JrbDlSmBpsb
InChI InChI=1S/C25H19N3O3/c1-3-31-25(30)19-7-5-4-6-18(19)24(29)22-17(13-26)12-20(21(14-27)23(22)28)16-10-8-15(2)9-11-16/h4-12H,3,28H2,1-2H3
InChIKey IXTLFRZSYLILRE-UHFFFAOYSA-N
Mol Weight 409.45 g/mol
Molecular Formula C25H19N3O3
Exact Mass 409.142641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8kDrQaMBRFk
Name Ethyl 2-[(3-Amino-2,5-dicyano-4'-methyl[1,1'-biphenyl]-4-yl)carbonyl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H19N3O3
InChI InChI=1S/C25H19N3O3/c1-3-31-25(30)19-7-5-4-6-18(19)24(29)22-17(13-26)12-20(21(14-27)23(22)28)16-10-8-15(2)9-11-16/h4-12H,3,28H2,1-2H3
InChIKey IXTLFRZSYLILRE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201400287
Molecular Weight 409.445 g/mol
SMILES Nc1c(c(cc(c1C#N)-c1ccc(cc1)C)C#N)C(=O)c1c(C(=O)OCC)cccc1
SPLASH splash10-066r-2529200000-f78a43e47564da32cde3
Source of Spectrum H-98-573-2b
Synonyms Ethyl 2-(3-amino-2,5-dicyano-4'-methyl-[1,1'-biphenyl]-4-carbonyl)benzoate
Wiley ID 1786336