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/c1-13-11-18(16-5-9-20-10-6-16)14(2)12-17(13)15-3-7-19-8-4-15/h3-12H,1-2H3
SMILES Cc1cc(c(cc1c1ccncc1)C)c1ccncc1
InChI Key DWWVLJOQODKVII-UHFFFAOYSA-N
Molecular Formula C18H16N2
Exact Mass 260.333 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DWWVLJOQODKVII-UHFFFAOYSA-N/NMR/1H/CDCl3/500
License URL
Source https://www.chemotion-repository.net/inchikey/DWWVLJOQODKVII-UHFFFAOYSA-N/NMR/1H/CDCl3/500
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:36:04.444781
MetadataModified 2024-09-07T11:56:19.402367
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
73427259 PubChem
J3.592.942H Nikkaji
SCHEMBL21627244 SureChEMBL
CB26215686 ChemicalBook
GUQYID CCDC
The data in this table is sourced from UniChem at EBI.