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1-[2-methyl-5-(2-phenylethynyl)-7,8-dihydroquinolin-6-yl]-4-nitro-3-phenyl-1-butanone
SpectraBase Compound ID 4ylGEFMySB0
InChI InChI=1S/C28H24N2O3/c1-20-12-14-25-24(15-13-21-8-4-2-5-9-21)26(16-17-27(25)29-20)28(31)18-23(19-30(32)33)22-10-6-3-7-11-22/h2-12,14,23H,16-19H2,1H3
InChIKey SCMYKOJASROQLD-UHFFFAOYSA-N
Mol Weight 436.51 g/mol
Molecular Formula C28H24N2O3
Exact Mass 436.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Et8tLpm0yJz
Name 1-[2-methyl-5-(2-phenylethynyl)-7,8-dihydroquinolin-6-yl]-4-nitro-3-phenyl-1-butanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H24N2O3
InChI InChI=1S/C28H24N2O3/c1-20-12-14-25-24(15-13-21-8-4-2-5-9-21)26(16-17-27(25)29-20)28(31)18-23(19-30(32)33)22-10-6-3-7-11-22/h2-12,14,23H,16-19H2,1H3
InChIKey SCMYKOJASROQLD-UHFFFAOYSA-N
Molecular Weight 436.511 g/mol
SMILES C1(C#Cc2ccccc2)=C(C(CC(CN(=O)=O)c2ccccc2)=O)CCc2c1ccc(C)n2
SPLASH splash10-0fkl-1392300000-21dd1042b6447e27935d
Source of Spectrum U-1996-1864-25
Synonyms 1-[2-methyl-5-(2-phenylethynyl)-7,8-dihydroquinolin-6-yl]-4-nitro-3-phenyl-butan-1-one
Wiley ID 769182