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/C14H8N2O6/c17-13(9-3-1-5-11(7-9)15(19)20)14(18)10-4-2-6-12(8-10)16(21)22/h1-8H
SMILES O=C(C(=O)c1cccc(c1)[N+](=O)[O-])c1cccc(c1)[N+](=O)[O-]
InChI Key SGKVXDKTNJHBCA-UHFFFAOYSA-N
Molecular Formula C14H8N2O6
Exact Mass 300.223 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SGKVXDKTNJHBCA-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/SGKVXDKTNJHBCA-UHFFFAOYSA-N/CHMO0000593
Version
Author Aleksandra Vranic
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:54:29.211201
MetadataModified 2024-09-07T23:45:01.849969
MetadataPublished 2022-11-04
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
6212614 eMolecules
101375 PubChem
93369851 PubChem: Thomson Pharma
SCHEMBL2156825 SureChEMBL
5913-06-4 ACToR
79757 Brenda
CHEMBL191796 ChEMBL
ZINC000001601014 ZINC
22751 BindingDB
DTXSID90207869 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.