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1-(5,6-Diphenyl-1,2,4-triazin-3-yl)-4-[(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl) carbonyl]-1H-pyrazole
SpectraBase Compound ID BA5EcRcgGI7
InChI InChI=1S/C29H21N5O5/c1-37-26-20-13-14-39-27(20)28(38-2)25(36)21(26)24(35)19-15-30-34(16-19)29-31-22(17-9-5-3-6-10-17)23(32-33-29)18-11-7-4-8-12-18/h3-16,36H,1-2H3
InChIKey OQJODJHQMHMBBF-UHFFFAOYSA-N
Mol Weight 519.52 g/mol
Molecular Formula C29H21N5O5
Exact Mass 519.154269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qNsZ165RNP
Name 1-(5,6-Diphenyl-1,2,4-triazin-3-yl)-4-[(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl) carbonyl]-1H-pyrazole
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H21N5O5
InChI InChI=1S/C29H21N5O5/c1-37-26-20-13-14-39-27(20)28(38-2)25(36)21(26)24(35)19-15-30-34(16-19)29-31-22(17-9-5-3-6-10-17)23(32-33-29)18-11-7-4-8-12-18/h3-16,36H,1-2H3
InChIKey OQJODJHQMHMBBF-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2733
Molecular Weight 519.517 g/mol
SMILES Oc1c(C(c2cn[n](-c3nc(c(-c4ccccc4)nn3)-c3ccccc3)c2)=O)c(c2c(c1OC)occ2)OC
SPLASH splash10-05i0-2690010000-ef2f70cf5140f35cff60
Source of Spectrum Y-54-1475-18
Wiley ID 1878239