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5-(bis(2-hydroxyethyl)amino)-2,4-dinitro-benzoic acid methyl ester

View entire compound with spectra: 1 NMR

5-(bis(2-hydroxyethyl)amino)-2,4-dinitro-benzoic acid methyl ester
SpectraBase Compound ID CjjUFnuTg2K
InChI InChI=1S/C12H15N3O8/c1-23-12(18)8-6-10(13(2-4-16)3-5-17)11(15(21)22)7-9(8)14(19)20/h6-7,16-17H,2-5H2,1H3
InChIKey DZCOLSXWMGFINE-UHFFFAOYSA-N
Mol Weight 329.27 g/mol
Molecular Formula C12H15N3O8
Exact Mass 329.085914 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5eDFYZOOVnQ
Name 5-(bis(2-hydroxyethyl)amino)-2,4-dinitro-benzoic acid methyl ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15N3O8
InChI InChI=1S/C12H15N3O8/c1-23-12(18)8-6-10(13(2-4-16)3-5-17)11(15(21)22)7-9(8)14(19)20/h6-7,16-17H,2-5H2,1H3
InChIKey DZCOLSXWMGFINE-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 329.266 g/mol
Source File Reference MHKO5335