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6-Oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylic acid (4-bromo-phenyl)-amide
SpectraBase Compound ID F0f3XRUFxNk
InChI InChI=1S/C21H11BrN2O3/c22-11-5-7-12(8-6-11)23-21(26)16-10-9-15-17-18(16)24-27-20(17)14-4-2-1-3-13(14)19(15)25/h1-10H,(H,23,26)
InChIKey RXRLRKSFQIKMPK-UHFFFAOYSA-N
Mol Weight 419.23 g/mol
Molecular Formula C21H11BrN2O3
Exact Mass 417.995305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H4t5GrlVf2D
Name 6-Oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylic acid (4-bromo-phenyl)-amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H11BrN2O3
InChI InChI=1S/C21H11BrN2O3/c22-11-5-7-12(8-6-11)23-21(26)16-10-9-15-17-18(16)24-27-20(17)14-4-2-1-3-13(14)19(15)25/h1-10H,(H,23,26)
InChIKey RXRLRKSFQIKMPK-UHFFFAOYSA-N
Molecular Weight 419.234 g/mol
SMILES N(C(c1c2c3c(C(=O)c4c(-c3on2)cccc4)cc1)=O)c1ccc(cc1)Br
SPLASH splash10-01tc-9500000000-6938fec1c88bace0ef77
Wiley ID 1438997