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/C8H4ClN5/c9-7-8-11-12-13-14(8)6-4-2-1-3-5(6)10-7/h1-4H
SMILES Clc1nc2ccccc2n2c1nnn2
InChI Key KOWYBYDSUFDMGG-UHFFFAOYSA-N
Molecular Formula C8H4ClN5
Exact Mass 205.604 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KOWYBYDSUFDMGG-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/KOWYBYDSUFDMGG-UHFFFAOYSA-N/CHMO0000593
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:25:12.492493
MetadataModified 2024-09-07T19:36:49.892343
MetadataPublished 2021-03-27
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
1569243 eMolecules
PD108604 ProbesDrugs
SCHEMBL7623370 SureChEMBL
134333702 PubChem: Thomson Pharma
59866-06-7 ACToR
313636 PubChem
MCULE-1979081713 Mcule
ZINC000000215931 ZINC
DTXSID10310581 EPA CompTox Dashboard
J1.679.176H Nikkaji
The data in this table is sourced from UniChem at EBI.