Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C10H9N3O4/c1-16-9(14)6-3-4-7(10(15)17-2)8(5-6)12-13-11/h3-5H,1-2H3
SMILES [N-]=[N+]=Nc1cc(ccc1C(=O)OC)C(=O)OC
InChI Key PMEDBKGAHOFNES-UHFFFAOYSA-N
Molecular Formula C10H9N3O4
Exact Mass 235.196 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PMEDBKGAHOFNES-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/PMEDBKGAHOFNES-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:28:41.127941
MetadataModified 2024-09-07T20:58:24.688906
MetadataPublished 2022-01-08
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-2341424375 Mcule
14983550 PubChem
ZINC000072333112 ZINC
The data in this table is sourced from UniChem at EBI.