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Glutaric acid (4,5-Dimethoxy-2-nitrobenzyl) ester (3',5'-Dimethoxybenzoin) ester
SpectraBase Compound ID 7ZzBRZ5QEF
InChI InChI=1S/C30H31NO11/c1-37-22-13-20(14-23(16-22)38-2)30(29(34)19-9-6-5-7-10-19)42-28(33)12-8-11-27(32)41-18-21-15-25(39-3)26(40-4)17-24(21)31(35)36/h5-7,9-10,13-17,30H,8,11-12,18H2,1-4H3
InChIKey IMWXRDKXOMXPLV-UHFFFAOYSA-N
Mol Weight 581.57 g/mol
Molecular Formula C30H31NO11
Exact Mass 581.189711 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pd2ekFkK8
Name Glutaric acid (4,5-Dimethoxy-2-nitrobenzyl) ester (3',5'-Dimethoxybenzoin) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H31NO11
InChI InChI=1S/C30H31NO11/c1-37-22-13-20(14-23(16-22)38-2)30(29(34)19-9-6-5-7-10-19)42-28(33)12-8-11-27(32)41-18-21-15-25(39-3)26(40-4)17-24(21)31(35)36/h5-7,9-10,13-17,30H,8,11-12,18H2,1-4H3
InChIKey IMWXRDKXOMXPLV-UHFFFAOYSA-N
Molecular Weight 581.574 g/mol
SMILES c1(N(=O)=O)c(cc(c(c1)OC)OC)COC(=O)CCCC(OC(c1cc(OC)cc(c1)OC)C(=O)c1ccccc1)=O
SPLASH splash10-052b-0900000000-b5ce569d645abf376872
Source of Spectrum J-67-5574-12
Synonyms 1-(4,5-dimethoxy-2-nitrobenzyl) 5-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl]pentanedioate Pentanedioic acid O1-[(4,5-dimethoxy-2-nitrophenyl)methyl] ester O5-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ester 1-O-[(4,5-dimethoxy-2-nitrophenyl)methyl] 5-O-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] pentanedioate O1-[(4,5-dimethoxy-2-nitro-phenyl)methyl] O5-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenyl-ethyl] pentanedioate O1-[(4,5-dimethoxy-2-nitro-phenyl)methyl] O5-[1-(3,5-dimethoxyphenyl)-2-oxidanylidene-2-phenyl-ethyl] pentanedioate
Wiley ID 1570454