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Methyl 2-((2-chloro-6-formamido-7-phenoxyquinolin-3-yl)-(hydroxy)methyl)acrylate
SpectraBase Compound ID Lrem2suXF0n
InChI InChI=1S/C21H17ClN2O5/c1-12(21(27)28-2)19(26)15-8-13-9-17(23-11-25)18(10-16(13)24-20(15)22)29-14-6-4-3-5-7-14/h3-11,19,26H,1H2,2H3,(H,23,25)
InChIKey DCFPFROLPSVUDR-UHFFFAOYSA-N
Mol Weight 412.83 g/mol
Molecular Formula C21H17ClN2O5
Exact Mass 412.082599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jHvxYD7I19
Name Methyl 2-((2-chloro-6-formamido-7-phenoxyquinolin-3-yl)-(hydroxy)methyl)acrylate
Alternate Name(s) 2-[(2-chloro-6-formamido-7-phenoxy-3-quinolinyl)-hydroxymethyl]-2-propenoic acid methyl ester methyl 2-[(2-chloro-6-formamido-7-phenoxyquinolin-3-yl)-hydroxymethyl]prop-2-enoate methyl 2-[(2-chloro-6-formamido-7-phenoxy-3-quinolyl)-hydroxy-methyl]prop-2-enoate methyl 2-[(2-chloranyl-6-formamido-7-phenoxy-quinolin-3-yl)-oxidanyl-methyl]prop-2-enoate
Comments Less than 3 mono-isotopic peaks
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Formula C21H17ClN2O5
InChI InChI=1S/C21H17ClN2O5/c1-12(21(27)28-2)19(26)15-8-13-9-17(23-11-25)18(10-16(13)24-20(15)22)29-14-6-4-3-5-7-14/h3-11,19,26H,1H2,2H3,(H,23,25)
InChIKey DCFPFROLPSVUDR-UHFFFAOYSA-N
Molecular Weight 412.829 g/mol
SMILES N(C=O)c1cc2c(nc(c(C(C(C(=O)OC)=C)O)c2)Cl)cc1Oc1ccccc1
SPLASH splash10-03di-0000900000-e8dde011dc4c3d05b18c
Source of Spectrum Y-49-87-3k
Wiley ID 1706445