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4,6-diamino-3,5-dicyano-2-pyridineacetic acid, ethyl ester
SpectraBase Compound ID H3u4TGWW23z
InChI InChI=1S/C11H11N5O2/c1-2-18-9(17)3-8-6(4-12)10(14)7(5-13)11(15)16-8/h2-3H2,1H3,(H4,14,15,16)
InChIKey QLRNIDXBUOELPU-UHFFFAOYSA-N
Mol Weight 245.24 g/mol
Molecular Formula C11H11N5O2
Exact Mass 245.091275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J54Ygl0b0zw
Name 4,6-DIAMINO-3,5-DICYANO-2-PYRIDINEACETIC ACID, ETHYL ESTER
Source of Sample M. H. Elnagdi and A. W. Erian, Cairo University, Giza, Egypt
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N5O2
InChI InChI=1S/C11H11N5O2/c1-2-18-9(17)3-8-6(4-12)10(14)7(5-13)11(15)16-8/h2-3H2,1H3,(H4,14,15,16)
InChIKey QLRNIDXBUOELPU-UHFFFAOYSA-N
Molecular Weight 245.24
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 2-PYRIDINEACETIC ACID, 4,6-DIAMINO- 3,5-DICYANO-, ETHYL ESTER