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/C14H10N2/c1-2-6-11(7-3-1)14-10-15-12-8-4-5-9-13(12)16-14/h1-10H
SMILES c1ccc(cc1)c1cnc2c(n1)cccc2
InChI Key QWNCDHYYJATYOG-UHFFFAOYSA-N
Molecular Formula C14H10N2
Exact Mass 206.243 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QWNCDHYYJATYOG-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/QWNCDHYYJATYOG-UHFFFAOYSA-N/CHMO0000593.1
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:55:39.900611
MetadataModified 2024-09-07T17:38:22.322044
MetadataPublished 2020-04-12
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-2516505278 Mcule
78725 PubChem
SCHEMBL87505 SureChEMBL
15195645 PubChem: Thomson Pharma
5021-43-2 ACToR
1080183 eMolecules
DTXSID50198244 EPA CompTox Dashboard
VAKHUK CCDC
J101.691A Nikkaji
ZINC000000055213 ZINC
CHEMBL69695 ChEMBL
The data in this table is sourced from UniChem at EBI.