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/C6H4N2O3/c9-7-5-1-3-6(4-2-5)8(10)11/h1-4H
SMILES O=Nc1ccc(cc1)[N+](=O)[O-]
InChI Key IDZTUECABAHWLE-UHFFFAOYSA-N
Molecular Formula C6H4N2O3
Exact Mass 152.108 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IDZTUECABAHWLE-UHFFFAOYSA-N/1HNMR
License URL
Source https://www.chemotion-repository.net/inchikey/IDZTUECABAHWLE-UHFFFAOYSA-N/1HNMR
Version
Author Patrick Hodapp
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:59:57.619853
MetadataModified 2024-09-07T14:57:21.798970
MetadataPublished 2019-04-09
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
643547 PubChem
USAXOC CCDC
DTXSID90196320 EPA CompTox Dashboard
15946661 PubChem: Thomson Pharma
4485-08-9 ACToR
20049669 NMRShiftDB
SCHEMBL4365351 SureChEMBL
The data in this table is sourced from UniChem at EBI.