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/C8H7N3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,11)
SMILES Nc1cnc2c(n1)cccc2
InChI Key YOWAEZWWQFSEJD-UHFFFAOYSA-N
Molecular Formula C8H7N3
Exact Mass 145.161 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YOWAEZWWQFSEJD-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/YOWAEZWWQFSEJD-UHFFFAOYSA-N/CHMO0000593.1
Version
Author Chloé Liagre
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:54:17.795293
MetadataModified 2024-09-07T21:31:23.847814
MetadataPublished 2022-02-11
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
224573 PubChem
MCULE-9947414835 Mcule
SCHEMBL462847 SureChEMBL
DTXSID00279557 EPA CompTox Dashboard
ZINC000001683294 ZINC
CB81081491 ChemicalBook
J81.024J Nikkaji
92286 BindingDB
CHEMBL5092101 ChEMBL
5424-05-5 ACToR
3800990 eMolecules
CB1105788 ChemicalBook
The data in this table is sourced from UniChem at EBI.