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/C11H8N2O4/c1-17-11(14)8-6-5-7-3-2-4-9(13(15)16)10(7)12-8/h2-6H,1H3
SMILES COC(=O)c1ccc2c(n1)c(ccc2)[N+](=O)[O-]
InChI Key ZJSFNHZUYTYDFN-UHFFFAOYSA-N
Molecular Formula C11H8N2O4
Exact Mass 232.192 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZJSFNHZUYTYDFN-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/ZJSFNHZUYTYDFN-UHFFFAOYSA-N/CHMO0000593
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:20:08.955730
MetadataModified 2024-09-07T21:58:56.061733
MetadataPublished 2022-03-14
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID10553936 EPA CompTox Dashboard
36379111 eMolecules
ZINC000045954294 ZINC
13997693 PubChem
MCULE-4485446971 Mcule
The data in this table is sourced from UniChem at EBI.