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2,4-Dibromo-6-[[4-(4-fluoro-phenylamino)-6-morpholin-4-yl-[1,3,5]triazin-2-yl]-hydrazonomethyl]-phenol
SpectraBase Compound ID 3ZpfiBySFT6
InChI InChI=1S/C20H18Br2FN7O2/c21-13-9-12(17(31)16(22)10-13)11-24-29-19-26-18(25-15-3-1-14(23)2-4-15)27-20(28-19)30-5-7-32-8-6-30/h1-4,9-11,31H,5-8H2,(H2,25,26,27,28,29)/b24-11+
InChIKey MVMNQSLSUFZJSM-BHGWPJFGSA-N
Mol Weight 567.22 g/mol
Molecular Formula C20H18Br2FN7O2
Exact Mass 564.987277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Br4MwRGHqiK
Name 2,4-Dibromo-6-[[4-(4-fluoro-phenylamino)-6-morpholin-4-yl-[1,3,5]triazin-2-yl]-hydrazonomethyl]-phenol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 564.987277009 u
Formula C20H18Br2FN7O2
InChI InChI=1S/C20H18Br2FN7O2/c21-13-9-12(17(31)16(22)10-13)11-24-29-19-26-18(25-15-3-1-14(23)2-4-15)27-20(28-19)30-5-7-32-8-6-30/h1-4,9-11,31H,5-8H2,(H2,25,26,27,28,29)/b24-11+
InChIKey MVMNQSLSUFZJSM-BHGWPJFGSA-N
Molecular Weight 567.217 g/mol
SMILES C1(=NC(NC2=CC=C(C=C2)F)=NC(=N1)N\N=C\C1=C(C(Br)=CC(=C1)Br)O)N1CCOCC1