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2-((3-(1H-Indol-3-yl)-1H-pyrazol-5-yl)diazenyl)-3-(1H-indol-3-yl)-3-oxopropane nitrile
SpectraBase Compound ID JEalzkOlQV1
InChI InChI=1S/C22H15N7O/c23-10-20(22(30)16-12-25-18-8-4-2-6-14(16)18)27-29-21-9-19(26-28-21)15-11-24-17-7-3-1-5-13(15)17/h1-9,11-12,20,24-25H,(H,26,28)
InChIKey BQKVIXSSDVZGPU-UHFFFAOYSA-N
Mol Weight 393.41 g/mol
Molecular Formula C22H15N7O
Exact Mass 393.133808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FisamEzmpJD
Name 2-((3-(1H-Indol-3-yl)-1H-pyrazol-5-yl)diazenyl)-3-(1H-indol-3-yl)-3-oxopropane nitrile
Appearance Red crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15N7O
InChI InChI=1S/C22H15N7O/c23-10-20(22(30)16-12-25-18-8-4-2-6-14(16)18)27-29-21-9-19(26-28-21)15-11-24-17-7-3-1-5-13(15)17/h1-9,11-12,20,24-25H,(H,26,28)
InChIKey BQKVIXSSDVZGPU-UHFFFAOYSA-N
Instrument Name Finnegan MAT 212
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2218
Molecular Weight 393.410 g/mol
SMILES [nH]1c2ccccc2c(C(C(N=Nc2cc(-c3c[nH]c4ccccc34)n[nH]2)C#N)=O)c1
SPLASH splash10-002f-4910000000-a676e806c8162e17494a
Source of Spectrum Y-53-899-18
Wiley ID 1876426