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(1S,1'S,3S)-3-CARBOXY-1-(1',2'-DIHYDROXYETHYL)-6,7-DIHYDROXY-,1,2,3,4-TETRAHYDROISOQUINOLINE
SpectraBase Compound ID EVjucQNudWD
InChI InChI=1S/C12H15NO6/c14-4-10(17)11-6-3-9(16)8(15)2-5(6)1-7(13-11)12(18)19/h2-3,7,10-11,13-17H,1,4H2,(H,18,19)/t7-,10-,11-/m0/s1
InChIKey DCJLAZTZJRNILL-SWPVVBRQSA-N
Mol Weight 269.25 g/mol
Molecular Formula C12H15NO6
Exact Mass 269.089937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9H11zJF7bKk
Name (1S,1'S,3S)-3-CARBOXY-1-(1',2'-DIHYDROXYETHYL)-6,7-DIHYDROXY-,1,2,3,4-TETRAHYDROISOQUINOLINE
Compound Number 2
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Formula C12H15NO6
InChI InChI=1S/C12H15NO6/c14-4-10(17)11-6-3-9(16)8(15)2-5(6)1-7(13-11)12(18)19/h2-3,7,10-11,13-17H,1,4H2,(H,18,19)/t7-,10-,11-/m0/s1
InChIKey DCJLAZTZJRNILL-SWPVVBRQSA-N
Literature Reference Author P.MANINI,M.D-ISCHIA,G.PROTA
Literature Reference Citation BIOORG.MED.CHEM.,9,923(2001)
Literature Reference DOI 10.1016/S0968-0896(00)00309-6
Molecular Weight 269.254 g/mol
Solvent D2O
Source File Reference UWLU21914