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3-O-(1,3-PROPYLENDIOXYSELENOPHOSPHORYL)-5,6-O-ISOPROPYLIDENE-L-ASCORBINIC ACID
SpectraBase Compound ID ATfev1bcbs9
InChI InChI=1S/C12H17O8PSe/c1-12(2)15-6-7(19-12)9-10(8(13)11(14)18-9)20-21(22)16-4-3-5-17-21/h7,9,13H,3-6H2,1-2H3
InChIKey JPCGMGYQYBIRFG-UHFFFAOYSA-N
Mol Weight 399.21 g/mol
Molecular Formula C12H17O8PSe
Exact Mass 399.982626 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FCRc0Q46Sbi
Name 3-O-(1,3-PROPYLENDIOXYSELENOPHOSPHORYL)-5,6-O-ISOPROPYLIDENE-L-ASCORBINIC ACID
Comments , I(69.47):I(70.21)=6:5. 69.47: J(P-SE)=994.0; 70.21: J(P-SE)=994.9.
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Formula C12H17O8PSe
InChI InChI=1S/C12H17O8PSe/c1-12(2)15-6-7(19-12)9-10(8(13)11(14)18-9)20-21(22)16-4-3-5-17-21/h7,9,13H,3-6H2,1-2H3
InChIKey JPCGMGYQYBIRFG-UHFFFAOYSA-N
Instrument Name Bruker WP-80
Literature Reference D.A.PREDVODITELEV, M.A.MALENKOVSKAYA, A.R.BEKKER, L.K.VASYANINA, E.E.NIFANT'EV(1991) Zhurn.Org.Khim.(Russ. Lang.): v.27, N8, 1655-1668.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CHCl3 chloroform