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/C8H5N5O/c14-8-7-10-11-12-13(7)6-4-2-1-3-5(6)9-8/h1-4H,(H,9,14)
SMILES O=c1[nH]c2ccccc2n2c1nnn2
InChI Key SECOVEPJEIBBPV-UHFFFAOYSA-N
Molecular Formula C8H5N5O
Exact Mass 187.158 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SECOVEPJEIBBPV-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/SECOVEPJEIBBPV-UHFFFAOYSA-N/CHMO0000593.1
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:08:00.871089
MetadataModified 2024-09-07T21:49:11.204623
MetadataPublished 2022-02-11
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL165324 ChEMBL
UHEGOG CCDC
DTXSID10383139 EPA CompTox Dashboard
50279844 BindingDB
SCHEMBL7623510 SureChEMBL
MCULE-9295085844 Mcule
ZINC000008764108 ZINC
2793013 PubChem
5487962 eMolecules
1461124 eMolecules
The data in this table is sourced from UniChem at EBI.