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DG-3-DIBENZOATE

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DG-3-DIBENZOATE
SpectraBase Compound ID ASApOKhztoY
InChI InChI=1S/C28H28O8/c1-19-10-9-15-25(29)34-20(2)18-24(36-28(32)22-13-7-4-8-14-22)23(16-17-26(30)33-19)35-27(31)21-11-5-3-6-12-21/h3-9,11-17,19-20,23-24H,10,18H2,1-2H3/b15-9+,17-16+/t19-,20-,23+,24-/m0/s1
InChIKey NETKUXQLKHAYOS-JKCINJIMSA-N
Mol Weight 492.52 g/mol
Molecular Formula C28H28O8
Exact Mass 492.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IEroqvpdhrB
Name DG-3-DIBENZOATE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H28O8
InChI InChI=1S/C28H28O8/c1-19-10-9-15-25(29)34-20(2)18-24(36-28(32)22-13-7-4-8-14-22)23(16-17-26(30)33-19)35-27(31)21-11-5-3-6-12-21/h3-9,11-17,19-20,23-24H,10,18H2,1-2H3/b15-9+,17-16+/t19-,20-,23+,24-/m0/s1
InChIKey NETKUXQLKHAYOS-JKCINJIMSA-N
Literature Reference Author H.FUJIMOTO,J.NAGANO,K.YAMAGUCHI,M.YAMAZAKI
Literature Reference Citation CHEM.PHARM.BULL.,46,423(1998)
Literature Reference DOI 10.1248/cpb.46.423
Molecular Weight 492.526 g/mol
Solvent CDCl3
Source File Reference UWMS6264