Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C16H12N2/c1-2-14(16-7-11-18-12-8-16)4-3-13(1)15-5-9-17-10-6-15/h1-12H
SMILES n1ccc(cc1)c1ccc(cc1)c1ccncc1
InChI Key MAWKLXRVKVOYLR-UHFFFAOYSA-N
Molecular Formula C16H12N2
Exact Mass 232.280 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MAWKLXRVKVOYLR-UHFFFAOYSA-N/NMR/1H/CDCl3/300
License URL
Source https://www.chemotion-repository.net/inchikey/MAWKLXRVKVOYLR-UHFFFAOYSA-N/NMR/1H/CDCl3/300
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:35:18.920158
MetadataModified 2024-09-07T11:55:21.449570
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
5250442 PubChem
SCHEMBL135626 SureChEMBL
16411938 PubChem: Thomson Pharma
36725210 eMolecules
CB32652594 ChemicalBook
DTXSID90413261 EPA CompTox Dashboard
ZINC000033801680 ZINC
OXUHUM CCDC
J484.662A Nikkaji
The data in this table is sourced from UniChem at EBI.