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3-chlorobenzoic acid [(5R,6R)-6-hydroxy-2-keto-10-oxido-5,6-dihydro-1H-1,10-phenanthrolin-10-ium-5-yl] ester
SpectraBase Compound ID DgRZYLvrbgf
InChI InChI=1S/C19H13ClN2O5/c20-11-4-1-3-10(9-11)19(25)27-18-12-6-7-14(23)21-15(12)16-13(17(18)24)5-2-8-22(16)26/h1-9,17-18,24H,(H,21,23)/t17-,18-/m1/s1
InChIKey GYPIFKKKNFMXIG-QZTJIDSGSA-N
Mol Weight 384.78 g/mol
Molecular Formula C19H13ClN2O5
Exact Mass 384.051299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AhkzKeUzrg4
Name (5R,6R)-6-(3-Chlorobenzoyloxy)-5-hydroxy-9-oxo-5,6,9,10-tetrahydro-1,10-phthananthroline-1-oxide
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Formula C19H13ClN2O5
InChI InChI=1S/C19H13ClN2O5/c20-11-4-1-3-10(9-11)19(25)27-18-12-6-7-14(23)21-15(12)16-13(17(18)24)5-2-8-22(16)26/h1-9,17-18,24H,(H,21,23)/t17-,18-/m1/s1
InChIKey GYPIFKKKNFMXIG-QZTJIDSGSA-N
Molecular Weight 384.775 g/mol
SMILES O[C@]1([C@@](C2=C(c3c1ccc[n+]3[O-])NC(C=C2)=O)(OC(c1cc(Cl)ccc1)=O)[H])[H]
SPLASH splash10-0gw0-0920000000-19384cec75935c803554
Source of Spectrum H1-47-906-14
Synonyms (5R,6R)-6-(3-Chlorobenzoyloxy)-5-hydroxy-9-oxo-5,6,9,10-tetrahydro-1,10-phenanthroline-1-oxide (5R,6R)-6-hydroxy-10-oxido-2-oxo-1,2,5,6-tetrahydro[1,10]phenanthrolin-5-yl 4-chlorobenzoate 6-(3-Chlorobenzoyloxy)-5-hydroxy-9-oxo-5,6,9,10-tetrahydro-1,10-phthananthroline-1-oxide 3-Chlorobenzoic acid [(5R,6R)-6-hydroxy-10-oxido-2-oxo-5,6-dihydro-1H-1,10-phenanthrolin-10-ium-5-yl] ester [(5R,6R)-6-hydroxy-10-oxido-2-oxo-5,6-dihydro-1H-1,10-phenanthrolin-10-ium-5-yl] 3-chlorobenzoate [(5R,6R)-10-oxidanidyl-6-oxidanyl-2-oxidanylidene-5,6-dihydro-1H-1,10-phenanthrolin-10-ium-5-yl] 3-chloranylbenzoate
Wiley ID 816183