Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+
SMILES c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1
InChI Key DERZBLKQOCDDDZ-JLHYYAGUSA-N
Exact Mass 368.514 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DERZBLKQOCDDDZ-JLHYYAGUSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/DERZBLKQOCDDDZ-JLHYYAGUSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-10-08
Related Molecule
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Date : 2025-08-28

Start time : 15:22:59 UTC

Creator : Simone Gräßle

Label : CCP-3745

ID : 384725

Solvent : DMSO

Temperature : 298.000336504499 K K

Puls programme : zgpg30

Number of scans : 1024

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
DB00568 drugbank
CHEBI:31403 chebi
N90 rcsb_pdb
CHEMBL43064 chembl
44957 surechembl
1547484 pubchem
3DI2E1X18L fdasrs
PD002810 probes_and_drugs
CINNAZ CCDC
243490 brenda
181816 bindingdb
50608103 bindingdb
50739351 bindingdb
50775028 bindingdb
50775182 bindingdb
50775227 bindingdb
50777239 bindingdb
50913418 bindingdb
50913437 bindingdb
75102 bindingdb
90678 bindingdb
Molport-002-056-760 molport
654 drugcentral
The data in this table is sourced from UniChem at EBI.