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/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3
SMILES Cn1ccc2c1cccc2
InChI Key BLRHMMGNCXNXJL-UHFFFAOYSA-N
Molecular Formula C9H9N
Exact Mass 131.174 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BLRHMMGNCXNXJL-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/BLRHMMGNCXNXJL-UHFFFAOYSA-N/CHMO0001146
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:28:10.682040
MetadataModified 2024-09-08T04:28:10.682045
MetadataPublished 2024-08-08
Related Molecule
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL19912 ChEMBL
50098763 BindingDB
225056 Brenda
HMDB0243941 Human Metabolome Database
ZINC000001750961 ZINC
J45.593H Nikkaji
DTXSID3060534 EPA CompTox Dashboard
SCHEMBL29812 SureChEMBL
11781 PubChem
14818201 PubChem: Thomson Pharma
603-76-9 ACToR
487004 eMolecules
CB1371608 ChemicalBook
120927 Brenda
8H698ROJ5F FDA SRS
MCULE-1550838606 Mcule
10018782 NMRShiftDB
The data in this table is sourced from UniChem at EBI.