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2-(4-((3,5-Diacetamido-1H-pyrazol-4yl)diazenyl)phenyl)-5-oxooxazol-4(5H)-ylidene)methyl)phenyl benzoate
SpectraBase Compound ID 8xz5RkKBAZn
InChI InChI=1S/C30H23N7O6/c1-17(38)31-26-25(27(37-36-26)32-18(2)39)35-34-22-12-10-20(11-13-22)28-33-24(30(41)43-28)16-19-8-14-23(15-9-19)42-29(40)21-6-4-3-5-7-21/h3-16H,1-2H3,(H3,31,32,36,37,38,39)
InChIKey FTZXSMVVBYBJNS-UHFFFAOYSA-N
Mol Weight 577.56 g/mol
Molecular Formula C30H23N7O6
Exact Mass 577.170981 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tBF4gdnKjW
Name 2-(4-((3,5-Diacetamido-1H-pyrazol-4yl)diazenyl)phenyl)-5-oxooxazol-4(5H)-ylidene)methyl)phenyl benzoate
Appearance Reddish brown powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H23N7O6
InChI InChI=1S/C30H23N7O6/c1-17(38)31-26-25(27(37-36-26)32-18(2)39)35-34-22-12-10-20(11-13-22)28-33-24(30(41)43-28)16-19-8-14-23(15-9-19)42-29(40)21-6-4-3-5-7-21/h3-16H,1-2H3,(H3,31,32,36,37,38,39)
InChIKey FTZXSMVVBYBJNS-UHFFFAOYSA-N
Instrument Name Kratos MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3139
Molecular Weight 577.557 g/mol
SMILES N(c1c(c(n[nH]1)NC(=O)C)N=Nc1ccc(C=2OC(=O)C(=Cc3ccc(OC(=O)c4ccccc4)cc3)N2)cc1)C(=O)C
SPLASH splash10-000i-9462000000-db34ec3e371b490deb24
Source of Spectrum Y-55-1098-19
Wiley ID 1879140