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/C18H16N2/c19-17-11-15(13-7-3-1-4-8-13)16(12-18(17)20)14-9-5-2-6-10-14/h1-12H,19-20H2
SMILES Nc1cc(c2ccccc2)c(cc1N)c1ccccc1
InChI Key BEGUWTIVANWACP-UHFFFAOYSA-N
Molecular Formula C18H16N2
Exact Mass 260.333 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BEGUWTIVANWACP-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/BEGUWTIVANWACP-UHFFFAOYSA-N/CHMO0000593
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:41:08.663338
MetadataModified 2024-09-07T22:15:52.447511
MetadataPublished 2022-04-17
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
22459211 PubChem
SCHEMBL7649793 SureChEMBL
ZINC000149220790 ZINC
J394.069A Nikkaji
The data in this table is sourced from UniChem at EBI.