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Tomazin, ac derivative

View entire compound with spectra: 1 NMR

Tomazin, ac derivative
SpectraBase Compound ID 4mio0HehRXG
InChI InChI=1S/C23H24O8/c1-6-13(2)22(26)29-17(23(4,5)31-14(3)24)12-28-21-19-16(9-10-27-19)11-15-7-8-18(25)30-20(15)21/h6-11,17H,12H2,1-5H3/b13-6-
InChIKey LEJLCUUMAMFNIY-MLPAPPSSSA-N
Mol Weight 428.44 g/mol
Molecular Formula C23H24O8
Exact Mass 428.147118 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 77fBuTaQ24Y
Name Tomazin, ac derivative
Comments Computed using HOSE algorithm
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Exact Mass 428.147117725 u
Formula C23H24O8
InChI InChI=1S/C23H24O8/c1-6-13(2)22(26)29-17(23(4,5)31-14(3)24)12-28-21-19-16(9-10-27-19)11-15-7-8-18(25)30-20(15)21/h6-11,17H,12H2,1-5H3/b13-6-
InChIKey LEJLCUUMAMFNIY-MLPAPPSSSA-N
Molecular Weight 428.437 g/mol
SMILES C(\C(=C/C)C)(=O)OC(COC1=C2C(=CC=3C=CC(OC13)=O)C=CO2)C(C)(C)OC(=O)C