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4,4 -([1,1'-biphenyl]-4,4 -diylbis(hydrazin-2-yl-1-ylidene))bis(5-(2-hydroxyphenyl)-2,4-dihydro-3Hpyrazol-3-one)
SpectraBase Compound ID BngGyN5wF8Z
InChI InChI=1S/C30H22N8O4/c39-23-7-3-1-5-21(23)25-27(29(41)37-33-25)35-31-19-13-9-17(10-14-19)18-11-15-20(16-12-18)32-36-28-26(34-38-30(28)42)22-6-2-4-8-24(22)40/h1-16,31-32,39-40H,(H,35,37,41)(H,36,38,42)
InChIKey NCRYAXWLMLQESE-UHFFFAOYSA-N
Mol Weight 558.56 g/mol
Molecular Formula C30H22N8O4
Exact Mass 558.176401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6UtKRfmhVEF
Name 4,4 -([1,1'-biphenyl]-4,4 -diylbis(hydrazin-2-yl-1-ylidene))bis(5-(2-hydroxyphenyl)-2,4-dihydro-3Hpyrazol-3-one)
Appearance Red crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 558.176401216 u
Formula C30H22N8O4
InChI InChI=1S/C30H22N8O4/c39-23-7-3-1-5-21(23)25-27(29(41)37-33-25)35-31-19-13-9-17(10-14-19)18-11-15-20(16-12-18)32-36-28-26(34-38-30(28)42)22-6-2-4-8-24(22)40/h1-16,31-32,39-40H,(H,35,37,41)(H,36,38,42)
InChIKey NCRYAXWLMLQESE-UHFFFAOYSA-N
Instrument Name Finnigan Incos 500
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2022.104373
Molecular Weight 558.558 g/mol
Quality 145
SMILES N(C1=CC=C(C=2C=CC(=CC2)NN=C2C(C3=C(C=CC=C3)O)=NNC2=O)C=C1)N=C1C(C2=C(C=CC=C2)O)=NNC1=O
SPLASH splash10-0avr-5889750000-998a61834e08b0458d03
Source of Spectrum AJC-15-5-ABP (DOI: 10.1016/j.arabjc.2022.104373)
Wiley ID 1909720