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D-Gluconimidic acid, N-(benzoyloxy)-, .delta.-lactone, 2,3,4,6-tetrabenzoate, (Z)-
SpectraBase Compound ID 4Hs3fG2ru0F
InChI InChI=1S/C41H31NO11/c43-37(27-16-6-1-7-17-27)48-26-32-33(50-38(44)28-18-8-2-9-19-28)34(51-39(45)29-20-10-3-11-21-29)35(52-40(46)30-22-12-4-13-23-30)36(49-32)42-53-41(47)31-24-14-5-15-25-31/h1-25,32-35H,26H2/b42-36+
InChIKey CTZILZOLNIURSN-VSQDTCQZSA-N
Mol Weight 713.7 g/mol
Molecular Formula C41H31NO11
Exact Mass 713.189711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6yIFwX6Zbgd
Name D-Gluconimidic acid, N-(benzoyloxy)-, .delta.-lactone, 2,3,4,6-tetrabenzoate, (Z)-
Comments Computed using HOSE algorithm
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Exact Mass 713.189710811 u
Formula C41H31NO11
InChI InChI=1S/C41H31NO11/c43-37(27-16-6-1-7-17-27)48-26-32-33(50-38(44)28-18-8-2-9-19-28)34(51-39(45)29-20-10-3-11-21-29)35(52-40(46)30-22-12-4-13-23-30)36(49-32)42-53-41(47)31-24-14-5-15-25-31/h1-25,32-35H,26H2/b42-36+
InChIKey CTZILZOLNIURSN-VSQDTCQZSA-N
Molecular Weight 713.695 g/mol
SMILES C1(C(C(OC(=O)C=2C=CC=CC2)C(O\C1=N/OC(=O)C=1C=CC=CC1)COC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1