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3-(4-Chloro-phenyl)-6-hydroxy-5-(3-oxo-1,3-dihydro-isobenzofuran-1-yl)-1H-pyrimidine-2,4-dione
SpectraBase Compound ID CHAKmjpRkH1
InChI InChI=1S/C18H11ClN2O5/c19-9-5-7-10(8-6-9)21-16(23)13(15(22)20-18(21)25)14-11-3-1-2-4-12(11)17(24)26-14/h1-8,14,22H,(H,20,25)
InChIKey POPSCCBQWYGMJY-UHFFFAOYSA-N
Mol Weight 370.75 g/mol
Molecular Formula C18H11ClN2O5
Exact Mass 370.035649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOtJGGPo11W
Name 3-(4-Chloro-phenyl)-6-hydroxy-5-(3-oxo-1,3-dihydro-isobenzofuran-1-yl)-1H-pyrimidine-2,4-dione
Alternate Name(s) 3-(4-Chlorophenyl)-6-hydroxy-5-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2,4(1H,3H)-pyrimidinedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11ClN2O5
InChI InChI=1S/C18H11ClN2O5/c19-9-5-7-10(8-6-9)21-16(23)13(15(22)20-18(21)25)14-11-3-1-2-4-12(11)17(24)26-14/h1-8,14,22H,(H,20,25)
InChIKey POPSCCBQWYGMJY-UHFFFAOYSA-N
Molecular Weight 370.748 g/mol
SMILES N1C(=C(C(N(c2ccc(cc2)Cl)C1=O)=O)C1OC(=O)c2c1cccc2)O
SPLASH splash10-001i-3901000000-275d588fac0982e6d125
Wiley ID 1453224