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2-Cyano-3-(4-hydroxyphenyl)-N-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)acrylamide
SpectraBase Compound ID 7Wu9lBwVey8
InChI InChI=1S/C18H7Br4N3O4/c19-12-10-11(13(20)15(22)14(12)21)18(29)25(17(10)28)24-16(27)8(6-23)5-7-1-3-9(26)4-2-7/h1-5,26H,(H,24,27)
InChIKey YEHDYPSQSICLOU-UHFFFAOYSA-N
Mol Weight 648.89 g/mol
Molecular Formula C18H7Br4N3O4
Exact Mass 644.717008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xLuniyx3Q
Name 2-Cyano-3-(4-hydroxyphenyl)-N-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)acrylamide
Appearance Yellow crystals
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Formula C18H7Br4N3O4
InChI InChI=1S/C18H7Br4N3O4/c19-12-10-11(13(20)15(22)14(12)21)18(29)25(17(10)28)24-16(27)8(6-23)5-7-1-3-9(26)4-2-7/h1-5,26H,(H,24,27)
InChIKey YEHDYPSQSICLOU-UHFFFAOYSA-N
Instrument Name LCMS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3436
Molecular Weight 648.887 g/mol
SMILES N(N1C(c2c(c(c(c(c2C1=O)Br)Br)Br)Br)=O)C(C(=Cc1ccc(cc1)O)C#N)=O
SPLASH splash10-008a-6497533000-02b1f7ec7e6497a8186c
Source of Spectrum Y-56-SM10-18
Wiley ID 1859410