Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C5H5IN2/c6-4-2-1-3-8-5(4)7/h1-3H,(H2,7,8)
SMILES Ic1cccnc1N
InChI Key UUDNBWSHTUFGDQ-UHFFFAOYSA-N
Molecular Formula C5H5IN2
Exact Mass 220.011 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UUDNBWSHTUFGDQ-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/UUDNBWSHTUFGDQ-UHFFFAOYSA-N/CHMO0001148
Version
Author Helena Šimek Tosino
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:24:05.558822
MetadataModified 2024-09-08T03:24:05.558829
MetadataPublished 2024-04-30
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
728710 eMolecules
29205950 PubChem: Thomson Pharma
104830-06-0 ACToR
SCHEMBL312305 SureChEMBL
2763151 PubChem
J931.358C Nikkaji
MCULE-8558730203 Mcule
CB4704524 ChemicalBook
ZINC000019735470 ZINC
DTXSID50376767 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.