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4-Nitro-3-phenyl-1-[5-(2-phenylethynyl)-7,8-dihydroquinolin-6-yl]-1-butanone
SpectraBase Compound ID Lm7lFAX4xLu
InChI InChI=1S/C27H22N2O3/c30-27(18-22(19-29(31)32)21-10-5-2-6-11-21)25-15-16-26-24(12-7-17-28-26)23(25)14-13-20-8-3-1-4-9-20/h1-12,17,22H,15-16,18-19H2
InChIKey PZCQAHRVFXJDAH-UHFFFAOYSA-N
Mol Weight 422.48 g/mol
Molecular Formula C27H22N2O3
Exact Mass 422.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eb35LLFcJmz
Name 4-Nitro-3-phenyl-1-[5-(2-phenylethynyl)-7,8-dihydroquinolin-6-yl]-1-butanone
Alternate Name(s) 4-Nitro-3-phenyl-1-[5-(2-phenylethynyl)-7,8-dihydroquinolin-6-yl]butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22N2O3
InChI InChI=1S/C27H22N2O3/c30-27(18-22(19-29(31)32)21-10-5-2-6-11-21)25-15-16-26-24(12-7-17-28-26)23(25)14-13-20-8-3-1-4-9-20/h1-12,17,22H,15-16,18-19H2
InChIKey PZCQAHRVFXJDAH-UHFFFAOYSA-N
Molecular Weight 422.484 g/mol
SMILES C1(C#Cc2ccccc2)=C(C(CC(CN(=O)=O)c2ccccc2)=O)CCc2c1cccn2
SPLASH splash10-0a6r-1290000000-cfb8e3447f1b69713612
Source of Spectrum U-1996-1864-25
Wiley ID 769183