Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C7H5N/c1-2-7-5-3-4-6-8-7/h1,3-6H
SMILES C#Cc1ccccn1
InChI Key NHUBNHMFXQNNMV-UHFFFAOYSA-N
Molecular Formula C7H5N
Exact Mass 103.121 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NHUBNHMFXQNNMV-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/NHUBNHMFXQNNMV-UHFFFAOYSA-N/CHMO0000595
Version
Author Helena Šimek Tosino
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:11:09.743055
MetadataModified 2024-09-08T03:11:09.743061
MetadataPublished 2024-03-20
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000002390334 ZINC
MCULE-7352511856 Mcule
20027620 NMRShiftDB
137268 PubChem
15146407 PubChem: Thomson Pharma
SCHEMBL211092 SureChEMBL
CHEMBL5201133 ChEMBL
1945-84-2 ACToR
511477 eMolecules
CB5680472 ChemicalBook
DTXSID40173085 EPA CompTox Dashboard
KIDPET CCDC
J208.488K Nikkaji
The data in this table is sourced from UniChem at EBI.