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/C8H5N5O/c14-8-7-10-11-12-13(7)6-4-2-1-3-5(6)9-8/h1-4H,(H,9,14)
SMILES O=c1[nH]c2ccccc2n2c1nnn2
InChI Key SECOVEPJEIBBPV-UHFFFAOYSA-N
Molecular Formula C8H5N5O
Exact Mass 187.158 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SECOVEPJEIBBPV-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/SECOVEPJEIBBPV-UHFFFAOYSA-N/CHMO0001146
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:07:47.618297
MetadataModified 2024-09-07T21:48:52.818445
MetadataPublished 2022-02-11
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL165324 ChEMBL
5487962 eMolecules
1461124 eMolecules
MCULE-9295085844 Mcule
SCHEMBL7623510 SureChEMBL
UHEGOG CCDC
2793013 PubChem
50279844 BindingDB
ZINC000008764108 ZINC
DTXSID10383139 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.