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/C20H19N/c1-16-13-14-17(2)20(15-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15H,1-2H3
SMILES Cc1ccc(c(c1)N(c1ccccc1)c1ccccc1)C
InChI Key WXSHPONKEBTBJM-UHFFFAOYSA-N
Molecular Formula C20H19N
Exact Mass 273.372 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WXSHPONKEBTBJM-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/WXSHPONKEBTBJM-UHFFFAOYSA-N/CHMO0000593
Version
Author Eduard Spuling
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:26:36.007538
MetadataModified 2024-09-07T20:55:45.099291
MetadataPublished 2022-01-07
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
11651970 PubChem
RAFGAK CCDC
16755428 PubChem: Thomson Pharma
SCHEMBL13326122 SureChEMBL
The data in this table is sourced from UniChem at EBI.