Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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N-(2-furoyl)glycine Methyl Ester

Graphical representations:


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Molecular Formula: C8H9NO4

Natural Isotopic Abundance Mass: 183.16136

Mono-Isotopic Molecular Masses:

  • C12N14: 183.0531577825
  • C13N14: 191.0799964849
  • C12N15: 184.0501926757
  • C13N15: 192.0770313781

InChI string: InChI=1S/C8H9NO4/c1-12-7(10)5-9-8(11)6-3-2-4-13-6/h2-4H,5H2,1H3,(H,9,11)

PubChem Compound (CID): 518748
Sigma-Aldrich: 407860_ALDRICH
ZINC: ZINC00155095
NIST Chemistry WebBook: 1194996627
MDL: MFCD00192187
CAS Registry number: 13290-00-1

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,