Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C5H5IN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)
SMILES Nc1ccncc1I
InChI Key ZGOCEDVVZKFHSY-UHFFFAOYSA-N
Molecular Formula C5H5IN2
Exact Mass 220.011 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZGOCEDVVZKFHSY-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/ZGOCEDVVZKFHSY-UHFFFAOYSA-N/CHMO0001146
Version
Author Helena Šimek Tosino
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:24:33.476143
MetadataModified 2024-09-08T03:24:33.476148
MetadataPublished 2024-04-30
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000001439382 ZINC
1516510 PubChem
DTXSID10363976 EPA CompTox Dashboard
CB4403782 ChemicalBook
728785 eMolecules
15960493 PubChem: Thomson Pharma
SCHEMBL735030 SureChEMBL
J977.571D Nikkaji
The data in this table is sourced from UniChem at EBI.