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/C8H6ClN3/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,10,12)
SMILES Nc1nc2ccccc2nc1Cl
InChI Key NOFJFBHOKPHILH-UHFFFAOYSA-N
Molecular Formula C8H6ClN3
Exact Mass 179.606 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NOFJFBHOKPHILH-UHFFFAOYSA-N/CHMO0000593.2
License URL
Source https://www.chemotion-repository.net/inchikey/NOFJFBHOKPHILH-UHFFFAOYSA-N/CHMO0000593.2
Version
Author Chloé Liagre
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:59:42.957491
MetadataModified 2024-09-07T21:38:27.756865
MetadataPublished 2022-02-11
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J254.267F Nikkaji
ZINC000000331061 ZINC
DTXSID20355781 EPA CompTox Dashboard
CB5260869 ChemicalBook
15661866 PubChem: Thomson Pharma
SCHEMBL16065979 SureChEMBL
817274 PubChem
3021257 eMolecules
MCULE-2558056270 Mcule
SCHEMBL121118 SureChEMBL
The data in this table is sourced from UniChem at EBI.