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2-(3-acetyl-5-(4-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl)-6-bromo-4H-chromen-4-one
SpectraBase Compound ID BUFGXvl3ivU
InChI InChI=1S/C19H12BrN3O6/c1-10(24)22-19(17-9-15(25)14-8-12(20)4-7-16(14)28-17)29-18(21-22)11-2-5-13(6-3-11)23(26)27/h2-9,19H,1H3
InChIKey KMTNTJXKKFIXRG-UHFFFAOYSA-N
Mol Weight 458.22 g/mol
Molecular Formula C19H12BrN3O6
Exact Mass 456.990948 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YKtgKmJuBM
Name 2-(3-acetyl-5-(4-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl)-6-bromo-4H-chromen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H12BrN3O6
InChI InChI=1S/C19H12BrN3O6/c1-10(24)22-19(17-9-15(25)14-8-12(20)4-7-16(14)28-17)29-18(21-22)11-2-5-13(6-3-11)23(26)27/h2-9,19H,1H3
InChIKey KMTNTJXKKFIXRG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200300127
Molecular Weight 458.224 g/mol
SMILES [N+](=O)([O-])c1ccc(C2=NN(C(C3=CC(c4c(ccc(c4)Br)O3)=O)O2)C(=O)C)cc1
SPLASH splash10-0udi-1910000000-c2d44373157e2d30643b
Source of Spectrum QA-50-908-41
Wiley ID 1795799