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Pimelic acid (4,5-Dimethoxy-2-nitrobenzyl) ester (3',5'-Dimethoxybenzoin) ester
SpectraBase Compound ID 7ZzpTyJhQq4
InChI InChI=1S/C32H35NO11/c1-39-24-15-22(16-25(18-24)40-2)32(31(36)21-11-7-5-8-12-21)44-30(35)14-10-6-9-13-29(34)43-20-23-17-27(41-3)28(42-4)19-26(23)33(37)38/h5,7-8,11-12,15-19,32H,6,9-10,13-14,20H2,1-4H3
InChIKey DYGFVEQGPYWVBP-UHFFFAOYSA-N
Mol Weight 609.6 g/mol
Molecular Formula C32H35NO11
Exact Mass 609.221011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Dmr4LkMPkH
Name Pimelic acid (4,5-Dimethoxy-2-nitrobenzyl) ester (3',5'-Dimethoxybenzoin) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H35NO11
InChI InChI=1S/C32H35NO11/c1-39-24-15-22(16-25(18-24)40-2)32(31(36)21-11-7-5-8-12-21)44-30(35)14-10-6-9-13-29(34)43-20-23-17-27(41-3)28(42-4)19-26(23)33(37)38/h5,7-8,11-12,15-19,32H,6,9-10,13-14,20H2,1-4H3
InChIKey DYGFVEQGPYWVBP-UHFFFAOYSA-N
Molecular Weight 609.628 g/mol
SMILES c1(N(=O)=O)c(cc(c(c1)OC)OC)COC(=O)CCCCCC(OC(c1cc(OC)cc(c1)OC)C(=O)c1ccccc1)=O
SPLASH splash10-05mk-0900000000-a4c897d926d9bd2772bd
Source of Spectrum J-67-5575-12
Synonyms 1-(4,5-dimethoxy-2-nitrobenzyl) 7-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl]pimelate 1-O-[(4,5-dimethoxy-2-nitrophenyl)methyl]7-O-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl]heptanedioate Heptanedioic acid O1-[(4,5-dimethoxy-2-nitrophenyl)methyl]ester O7-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl]ester O1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]O7-[1-(3,5-dimethoxyphenyl)-2-oxidanylidene-2-phenyl-ethyl]heptanedioate O1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]O7-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenyl-ethyl]heptanedioate pimelic acid O1-(4,5-dimethoxy-2-nitro-benzyl) ester O7-[1-(3,5-dimethoxyphenyl)-2-keto-2-phenyl-ethyl]ester Heptanedioic acid O1-[(4,5-dimethoxy-2-nitrophenyl)methyl] ester O7-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ester 1-O-[(4,5-dimethoxy-2-nitrophenyl)methyl] 7-O-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] heptanedioate O1-[(4,5-dimethoxy-2-nitro-phenyl)methyl] O7-[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenyl-ethyl] heptanedioate O1-[(4,5-dimethoxy-2-nitro-phenyl)methyl] O7-[1-(3,5-dimethoxyphenyl)-2-oxidanylidene-2-phenyl-ethyl] heptanedioate
Wiley ID 1570452