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Succinic acid (4,5-Dimethoxy-2-nitrobenzyl) ester (3',5'-Dimethoxybenzoin) ester
SpectraBase Compound ID KvHAaTOJcuj
InChI InChI=1S/C29H29NO11/c1-36-21-12-19(13-22(15-21)37-2)29(28(33)18-8-6-5-7-9-18)41-27(32)11-10-26(31)40-17-20-14-24(38-3)25(39-4)16-23(20)30(34)35/h5-9,12-16,29H,10-11,17H2,1-4H3
InChIKey DCAYSPZIINPLTJ-UHFFFAOYSA-N
Mol Weight 567.55 g/mol
Molecular Formula C29H29NO11
Exact Mass 567.174061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4d12hRHr7yH
Name Succinic acid (4,5-Dimethoxy-2-nitrobenzyl) ester (3',5'-Dimethoxybenzoin) ester
Alternate Name(s) 1-(4,5-dimethoxy-2-nitrobenzyl) 4-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl]succinate Butanedioic acid O1-[(4,5-dimethoxy-2-nitrophenyl)methyl] ester O4-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ester 1-O-[(4,5-dimethoxy-2-nitrophenyl)methyl] 4-O-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] butanedioate O1-[(4,5-dimethoxy-2-nitro-phenyl)methyl] O4-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenyl-ethyl] butanedioate O1-[(4,5-dimethoxy-2-nitro-phenyl)methyl] O4-[1-(3,5-dimethoxyphenyl)-2-oxidanylidene-2-phenyl-ethyl] butanedioate
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Formula C29H29NO11
InChI InChI=1S/C29H29NO11/c1-36-21-12-19(13-22(15-21)37-2)29(28(33)18-8-6-5-7-9-18)41-27(32)11-10-26(31)40-17-20-14-24(38-3)25(39-4)16-23(20)30(34)35/h5-9,12-16,29H,10-11,17H2,1-4H3
InChIKey DCAYSPZIINPLTJ-UHFFFAOYSA-N
Molecular Weight 567.547 g/mol
SMILES c1(N(=O)=O)c(cc(c(c1)OC)OC)COC(=O)CCC(OC(c1cc(OC)cc(c1)OC)C(=O)c1ccccc1)=O
SPLASH splash10-0aos-0900000000-3ca61ff20256861abd27
Source of Spectrum J-67-5574-12
Wiley ID 1570455