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/C40H32N2/c1-2-8-33(9-3-1)41-38-27-31-20-18-28-14-16-29(17-15-28)19-21-32(38)26-37(31)30-22-24-34(25-23-30)42-39-12-6-4-10-35(39)36-11-5-7-13-40(36)42/h1-17,22-27,41H,18-21H2
SMILES c1ccc(cc1)Nc1cc2CCc3ccc(CCc1cc2c1ccc(cc1)n1c2ccccc2c2c1cccc2)cc3
InChI Key KRJCOBGZHYQKIP-UHFFFAOYSA-N
Molecular Formula C40H32N2
Exact Mass 540.695 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KRJCOBGZHYQKIP-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/KRJCOBGZHYQKIP-UHFFFAOYSA-N/CHMO0000593
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:14:44.745389
MetadataModified 2024-09-08T00:11:34.084378
MetadataPublished 2023-01-04
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
166451840 PubChem
The data in this table is sourced from UniChem at EBI.