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2-[[5-amino-4-[(4-hydroxyphenyl)methylene]pyrazol-3-yl]amino]-4,5,6,7-tetrabromo-isoindoline-1,3-dione
SpectraBase Compound ID 1MxiG8XZF5H
InChI InChI=1S/C18H9Br4N5O3/c19-11-9-10(12(20)14(22)13(11)21)18(30)27(17(9)29)26-16-8(15(23)24-25-16)5-6-1-3-7(28)4-2-6/h1-5,28H,(H2,23,24)(H,25,26)
InChIKey VSFLFJOWPDAFMS-UHFFFAOYSA-N
Mol Weight 662.92 g/mol
Molecular Formula C18H9Br4N5O3
Exact Mass 658.743891 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BAoYtZhHU7n
Name 2-[[5-amino-4-[(4-hydroxyphenyl)methylene]pyrazol-3-yl]amino]-4,5,6,7-tetrabromo-isoindoline-1,3-dione
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H9Br4N5O3
InChI InChI=1S/C18H9Br4N5O3/c19-11-9-10(12(20)14(22)13(11)21)18(30)27(17(9)29)26-16-8(15(23)24-25-16)5-6-1-3-7(28)4-2-6/h1-5,28H,(H2,23,24)(H,25,26)
InChIKey VSFLFJOWPDAFMS-UHFFFAOYSA-N
Instrument Name LCMS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3436
Molecular Weight 662.918 g/mol
SMILES N(N1C(c2c(c(c(c(c2C1=O)Br)Br)Br)Br)=O)C=1C(=Cc2ccc(cc2)O)C(=NN1)N
SPLASH splash10-0aor-6129210000-d3193e66cc98c4c52dd2
Source of Spectrum Y-56-SM12-20a
Wiley ID 1859412