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Adipic acid (4,5-Dimethoxy-2-nitrobenzyl) ester (3',5'-Dimethoxybenzoin) ester
SpectraBase Compound ID Ie2VLtygJSh
InChI InChI=1S/C31H33NO11/c1-38-23-14-21(15-24(17-23)39-2)31(30(35)20-10-6-5-7-11-20)43-29(34)13-9-8-12-28(33)42-19-22-16-26(40-3)27(41-4)18-25(22)32(36)37/h5-7,10-11,14-18,31H,8-9,12-13,19H2,1-4H3
InChIKey JABLXBZBTSVETJ-UHFFFAOYSA-N
Mol Weight 595.6 g/mol
Molecular Formula C31H33NO11
Exact Mass 595.205361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LASIKZHkpsT
Name Adipic acid (4,5-Dimethoxy-2-nitrobenzyl) ester (3',5'-Dimethoxybenzoin) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H33NO11
InChI InChI=1S/C31H33NO11/c1-38-23-14-21(15-24(17-23)39-2)31(30(35)20-10-6-5-7-11-20)43-29(34)13-9-8-12-28(33)42-19-22-16-26(40-3)27(41-4)18-25(22)32(36)37/h5-7,10-11,14-18,31H,8-9,12-13,19H2,1-4H3
InChIKey JABLXBZBTSVETJ-UHFFFAOYSA-N
Molecular Weight 595.601 g/mol
SMILES c1(N(=O)=O)c(cc(c(c1)OC)OC)COC(CCCCC(OC(C(c1ccccc1)=O)c1cc(cc(c1)OC)OC)=O)=O
SPLASH splash10-0002-0900000000-9e9d6919d2cd68892d09
Source of Spectrum J-67-5574-12
Synonyms 1-(4,5-dimethoxy-2-nitrobenzyl) 6-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl]hexanedioate Hexanedioic acid O1-[(4,5-dimethoxy-2-nitrophenyl)methyl] ester O6-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ester 1-O-[(4,5-dimethoxy-2-nitrophenyl)methyl] 6-O-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] hexanedioate O1-[(4,5-dimethoxy-2-nitro-phenyl)methyl] O6-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenyl-ethyl] hexanedioate O1-[(4,5-dimethoxy-2-nitro-phenyl)methyl] O6-[1-(3,5-dimethoxyphenyl)-2-oxidanylidene-2-phenyl-ethyl] hexanedioate
Wiley ID 1570453