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2-(4'-(nitromethyl)-[2,3'-biquinolin]-1'(4'H)-yl)-1-phenylethan-1-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-(4'-(nitromethyl)-[2,3'-biquinolin]-1'(4'H)-yl)-1-phenylethan-1-one
SpectraBase Compound ID 86lDH7DbG0s
InChI InChI=1S/C27H21N3O3/c31-27(20-9-2-1-3-10-20)18-29-16-23(25-15-14-19-8-4-6-12-24(19)28-25)22(17-30(32)33)21-11-5-7-13-26(21)29/h1-16,22H,17-18H2
InChIKey SIQZXOBVXSNEFV-UHFFFAOYSA-N
Mol Weight 435.48 g/mol
Molecular Formula C27H21N3O3
Exact Mass 435.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EBIxyomQZEl
Name 2-[4-(nitromethyl)-3-(2-quinolinyl)-4H-quinolin-1-yl]-1-phenylethanone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21N3O3
InChI InChI=1S/C27H21N3O3/c31-27(20-9-2-1-3-10-20)18-29-16-23(25-15-14-19-8-4-6-12-24(19)28-25)22(17-30(32)33)21-11-5-7-13-26(21)29/h1-16,22H,17-18H2
InChIKey SIQZXOBVXSNEFV-UHFFFAOYSA-N
Molecular Weight 435.483 g/mol
SMILES C1(=CN(CC(=O)c2ccccc2)c2c(C1CN(=O)=O)cccc2)c1nc2ccccc2cc1
SPLASH splash10-0bvi-9341000000-546adc7c2b10be53b6c2
Synonyms 2-[4-(nitromethyl)-3-(2-quinolyl)-4H-quinolin-1-yl]-1-phenyl-ethanone 2-[4-(nitromethyl)-3-quinolin-2-yl-4H-quinolin-1-yl]-1-phenyl-ethanone
Wiley ID 1461948