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2,7-Dimethyl-8-phenylazo-3-[(N-(4-nitrophenyl)-2-oxo-2-phenyl-ethanehydrazonoyl)]-pyrazolo[1,5-a]pyrimidin-4(3H)-one
SpectraBase Compound ID LJDkX3722mV
InChI InChI=1S/C28H22N8O4/c1-17-23(28(38)35-27(29-17)24(18(2)34-35)32-30-20-11-7-4-8-12-20)25(26(37)19-9-5-3-6-10-19)33-31-21-13-15-22(16-14-21)36(39)40/h3-16,23,31H,1-2H3
InChIKey AKKMRSWBXJHQHV-UHFFFAOYSA-N
Mol Weight 534.54 g/mol
Molecular Formula C28H22N8O4
Exact Mass 534.176401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LL39kDnHJq0
Name 2,7-Dimethyl-8-phenylazo-3-[(N-(4-nitrophenyl)-2-oxo-2-phenyl-ethanehydrazonoyl)]-pyrazolo[1,5-a]pyrimidin-4(3H)-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22N8O4
InChI InChI=1S/C28H22N8O4/c1-17-23(28(38)35-27(29-17)24(18(2)34-35)32-30-20-11-7-4-8-12-20)25(26(37)19-9-5-3-6-10-19)33-31-21-13-15-22(16-14-21)36(39)40/h3-16,23,31H,1-2H3
InChIKey AKKMRSWBXJHQHV-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-Q1000-EX or GCMS 5988-A HP
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.a16
Molecular Weight 534.536 g/mol
SMILES N(N=C(C1C(=Nc2[n](nc(c2N=Nc2ccccc2)C)C1=O)C)C(=O)c1ccccc1)c1ccc(cc1)[N+]([O-])=O
SPLASH splash10-002u-9522030000-d746c165cab4c1734522
Source of Spectrum ARK-2009-167-3m
Wiley ID 1869618