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5-{N-[2-(3,4-Dimethoxyphenyl)ethyl]amido}methyl-2-methoxy-5'-(3methoxycarbonyl)methyl-2'-nitrobiphenyl
SpectraBase Compound ID 2ffo9I0IDOZ
InChI InChI=1S/C28H30N2O8/c1-35-24-9-7-19(16-27(31)29-12-11-18-6-10-25(36-2)26(15-18)37-3)14-22(24)21-13-20(17-28(32)38-4)5-8-23(21)30(33)34/h5-10,13-15H,11-12,16-17H2,1-4H3,(H,29,31)
InChIKey AVZHVFHASMLLSD-UHFFFAOYSA-N
Mol Weight 522.55 g/mol
Molecular Formula C28H30N2O8
Exact Mass 522.200216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0LFdYUyqaq
Name 5-{N-[2-(3,4-Dimethoxyphenyl)ethyl]amido}methyl-2-methoxy-5'-(3methoxycarbonyl)methyl-2'-nitrobiphenyl
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30N2O8
InChI InChI=1S/C28H30N2O8/c1-35-24-9-7-19(16-27(31)29-12-11-18-6-10-25(36-2)26(15-18)37-3)14-22(24)21-13-20(17-28(32)38-4)5-8-23(21)30(33)34/h5-10,13-15H,11-12,16-17H2,1-4H3,(H,29,31)
InChIKey AVZHVFHASMLLSD-UHFFFAOYSA-N
Molecular Weight 522.554 g/mol
SMILES N(C(Cc1cc(-c2c(N(=O)=O)ccc(CC(=O)OC)c2)c(cc1)OC)=O)CCc1cc(c(OC)cc1)OC
SPLASH splash10-03di-0900000000-57b53182efbbf4a97ac0
Source of Spectrum F-52-14743-19
Wiley ID 799587