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5-(3-acetamidoureido)isophthalic acid, dimethyl ester

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5-(3-acetamidoureido)isophthalic acid, dimethyl ester
SpectraBase Compound ID G9WO8qZTq43
InChI InChI=1S/C13H15N3O6/c1-7(17)15-16-13(20)14-10-5-8(11(18)21-2)4-9(6-10)12(19)22-3/h4-6H,1-3H3,(H,15,17)(H2,14,16,20)
InChIKey CTZCWECFXHMGFF-UHFFFAOYSA-N
Mol Weight 309.28 g/mol
Molecular Formula C13H15N3O6
Exact Mass 309.096085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 77LhVhHEBzc
Name 5-(3-ACETAMIDOUREIDO)ISOPHTHALIC ACID, DIMETHYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3O6
InChI InChI=1S/C13H15N3O6/c1-7(17)15-16-13(20)14-10-5-8(11(18)21-2)4-9(6-10)12(19)22-3/h4-6H,1-3H3,(H,15,17)(H2,14,16,20)
InChIKey CTZCWECFXHMGFF-UHFFFAOYSA-N
Molecular Weight 309.28
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ISOPHTHALIC ACID, 5-/3-ACETAMIDOUREIDO/-, DIMETHYL ESTER