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1-(4-Methoxybenzyl)-6-(2-hydroxyphenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SpectraBase Compound ID K9UfZD4NHXf
InChI InChI=1S/C22H16N4O4/c1-30-16-8-6-14(7-9-16)12-25-13-15(11-23)18-10-19(26(28)29)21(24-22(18)25)17-4-2-3-5-20(17)27/h2-10,13,27H,12H2,1H3
InChIKey JAFLBQPSACOYEL-UHFFFAOYSA-N
Mol Weight 400.39 g/mol
Molecular Formula C22H16N4O4
Exact Mass 400.117155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KrPmFeUDPL0
Name 1-(4-Methoxybenzyl)-6-(2-hydroxyphenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16N4O4
InChI InChI=1S/C22H16N4O4/c1-30-16-8-6-14(7-9-16)12-25-13-15(11-23)18-10-19(26(28)29)21(24-22(18)25)17-4-2-3-5-20(17)27/h2-10,13,27H,12H2,1H3
InChIKey JAFLBQPSACOYEL-UHFFFAOYSA-N
Molecular Weight 400.394 g/mol
SMILES Oc1c(-c2c(N(=O)=O)cc3c([n](Cc4ccc(cc4)OC)cc3C#N)n2)cccc1
SPLASH splash10-00di-2900300000-22de3cb4a0429084aa4e
Source of Spectrum F-68-2539-3f
Wiley ID 1708761