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6''-O-PARA-HYDROXYBENZOYLIRIDIN
SpectraBase Compound ID 2ipD92DtppB
InChI InChI=1S/C31H30O15/c1-40-19-9-14(8-17(33)28(19)41-2)16-11-43-18-10-20(29(42-3)25(36)22(18)23(16)34)45-31-27(38)26(37)24(35)21(46-31)12-44-30(39)13-4-6-15(32)7-5-13/h4-11,21,24,26-27,31-33,35-38H,12H2,1-3H3/t21-,24-,26+,27-,31-/m1/s1
InChIKey AQARCOFZFRLNNY-LLFHEIDASA-N
Mol Weight 642.57 g/mol
Molecular Formula C31H30O15
Exact Mass 642.15847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 92RBTu53IvA
Name 6''-O-PARA-HYDROXYBENZOYLIRIDIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H30O15
InChI InChI=1S/C31H30O15/c1-40-19-9-14(8-17(33)28(19)41-2)16-11-43-18-10-20(29(42-3)25(36)22(18)23(16)34)45-31-27(38)26(37)24(35)21(46-31)12-44-30(39)13-4-6-15(32)7-5-13/h4-11,21,24,26-27,31-33,35-38H,12H2,1-3H3/t21-,24-,26+,27-,31-/m1/s1
InChIKey AQARCOFZFRLNNY-LLFHEIDASA-N
Literature Reference Author H.ITO,S.ONOUE,T.YOSHIDA
Literature Reference Citation CHEM.PHARM.BULL.,49,1229(2001)
Literature Reference DOI 10.1248/cpb.49.1229
Molecular Weight 642.570 g/mol
Solvent ACETONE-D6
Source File Reference UWVN29117