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2-[2-[2-(4,5-dimethoxy-2-nitro-phenyl)acetyl]-4,5-dimethoxy-phenyl]acetic acid
SpectraBase Compound ID 4NA6ZVANcXm
InChI InChI=1S/C20H21NO9/c1-27-16-6-11(8-20(23)24)13(9-18(16)29-3)15(22)5-12-7-17(28-2)19(30-4)10-14(12)21(25)26/h6-7,9-10H,5,8H2,1-4H3,(H,23,24)
InChIKey NSPFJWGFUKSHIG-UHFFFAOYSA-N
Mol Weight 419.39 g/mol
Molecular Formula C20H21NO9
Exact Mass 419.121631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7oToJ8LGNBX
Name 2-[2-[2-(4,5-dimethoxy-2-nitro-phenyl)acetyl]-4,5-dimethoxy-phenyl]acetic acid
CAS Registry Number 83573-15-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO9
InChI InChI=1S/C20H21NO9/c1-27-16-6-11(8-20(23)24)13(9-18(16)29-3)15(22)5-12-7-17(28-2)19(30-4)10-14(12)21(25)26/h6-7,9-10H,5,8H2,1-4H3,(H,23,24)
InChIKey NSPFJWGFUKSHIG-UHFFFAOYSA-N
Molecular Weight 419.386 g/mol
SMILES OC(Cc1c(C(Cc2c(N(=O)=O)cc(c(OC)c2)OC)=O)cc(c(OC)c1)OC)=O
SPLASH splash10-0002-0900000000-bae3588045a40d817ca0
Source of Spectrum Y-19-1321-0
Synonyms 2-[2-[2-(4,5-dimethoxy-2-nitro-phenyl)ethanoyl]-4,5-dimethoxy-phenyl]ethanoic acid 2-[2-[2-(4,5-dimethoxy-2-nitrophenyl)-1-oxoethyl]-4,5-dimethoxyphenyl]acetic acid
Wiley ID 1377564