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8-AMINO-4-[BIS-(2-CHLOROETHYL)-AMINO]-3-[1-(6-CHLORO-4-HYDROXY-4,5-DIHYDRO-PYRIMIDIN-2-YL-IMINO)-ETHYL]-7-HYDROXY-CHROMEN-2-ONE

View entire compound with spectra: 1 NMR

8-AMINO-4-[BIS-(2-CHLOROETHYL)-AMINO]-3-[1-(6-CHLORO-4-HYDROXY-4,5-DIHYDRO-PYRIMIDIN-2-YL-IMINO)-ETHYL]-7-HYDROXY-CHROMEN-2-ONE
SpectraBase Compound ID DNV5BRzJwpR
InChI InChI=1S/C19H20Cl3N5O4/c1-9(24-19-25-12(22)8-13(29)26-19)14-16(27(6-4-20)7-5-21)10-2-3-11(28)15(23)17(10)31-18(14)30/h2-3,13,28-29H,4-8,23H2,1H3/b24-9+
InChIKey FXXDVSVGOJXNNH-PGGKNCGUSA-N
Mol Weight 488.76 g/mol
Molecular Formula C19H20Cl3N5O4
Exact Mass 487.058087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J39KfF0VBj4
Name 8-AMINO-4-[BIS-(2-CHLOROETHYL)-AMINO]-3-[1-(6-CHLORO-4-HYDROXY-4,5-DIHYDRO-PYRIMIDIN-2-YL-IMINO)-ETHYL]-7-HYDROXY-CHROMEN-2-ONE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H20Cl3N5O4
InChI InChI=1S/C19H20Cl3N5O4/c1-9(24-19-25-12(22)8-13(29)26-19)14-16(27(6-4-20)7-5-21)10-2-3-11(28)15(23)17(10)31-18(14)30/h2-3,13,28-29H,4-8,23H2,1H3/b24-9+
InChIKey FXXDVSVGOJXNNH-PGGKNCGUSA-N
Literature Reference Author A.BEHRAMI,I.KRASNIQI
Literature Reference Citation J.CHEM.PHARM.RES.,4,5,2495(2012)
Molecular Weight 488.758 g/mol
Solvent DMSO-D6
Source File Reference UWIR14044