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3',3''.5',5''-tetraiodophenolphthalein, sodium salt, trihydrate
SpectraBase Compound ID IpFKDNcEk3Z
InChI InChI=1S/C20H10I4O4.2Na.3H2O/c21-13-5-9(6-14(22)18(13)25)17(10-7-15(23)19(26)16(24)8-10)11-3-1-2-4-12(11)20(27)28;;;;;/h1-8,25H,(H,27,28);;;3*1H2/q;2*+1;;;/p-2
InChIKey YOYITVXQCHSEJG-UHFFFAOYSA-L
Mol Weight 919.92243056 g/mol
Molecular Formula C20H14I4Na2O7
Exact Mass 919.671371 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EpspFZCurga
Name 3',3''.5',5''-tetraiodophenolphthalein, sodium salt, trihydrate
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Formula C20H14I4Na2O7
InChI InChI=1S/C20H10I4O4.2Na.3H2O/c21-13-5-9(6-14(22)18(13)25)17(10-7-15(23)19(26)16(24)8-10)11-3-1-2-4-12(11)20(27)28;;;;;/h1-8,25H,(H,27,28);;;3*1H2/q;2*+1;;;/p-2
InChIKey YOYITVXQCHSEJG-UHFFFAOYSA-L
Instrument Name Varian CFT-20
Sadtler NMR Number 27596M
Solvent D2O