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/C8H7ClN4/c9-7-8(13-10)12-6-4-2-1-3-5(6)11-7/h1-4H,10H2,(H,12,13)
SMILES NNc1nc2ccccc2nc1Cl
InChI Key RODNZCIFRICALV-UHFFFAOYSA-N
Molecular Formula C8H7ClN4
Exact Mass 194.621 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RODNZCIFRICALV-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/RODNZCIFRICALV-UHFFFAOYSA-N/CHMO0000593.1
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:09:26.682476
MetadataModified 2024-09-07T21:50:44.798167
MetadataPublished 2022-02-11
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
7656150 eMolecules
16878146 PubChem: Thomson Pharma
ZINC000003096975 ZINC
J3.062.084D Nikkaji
DTXSID50394749 EPA CompTox Dashboard
SCHEMBL462643 SureChEMBL
3658820 PubChem
MCULE-4905764033 Mcule
The data in this table is sourced from UniChem at EBI.